 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer05_STD_LCPBE_augccpVDZ.in
 Output=31_naproxen_conformer05_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-230249.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    230250.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=31_naproxen_conformer05_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:28:41 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "31_naproxen_conformer05_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.727796000000     -0.617339000000      0.237443000000
  C                                                -1.047841000000      0.762202000000      0.064823000000
  C                                                 0.627887000000     -0.997107000000      0.390677000000
  C                                                 1.641753000000     -0.071739000000      0.382480000000
  C                                                 1.312923000000      1.298898000000      0.205310000000
  C                                                 0.016715000000      1.701054000000      0.052033000000
  C                                                -1.782544000000     -1.552555000000      0.250244000000
  H                                                 0.857810000000     -2.048331000000      0.527327000000
  H                                                 2.108133000000      2.033573000000      0.183762000000
  H                                                -0.215213000000      2.749911000000     -0.085402000000
  C                                                 3.088117000000     -0.486534000000      0.541414000000
  C                                                 3.760195000000      0.119636000000      1.772964000000
  C                                                 3.907138000000     -0.206580000000     -0.726372000000
  H                                                 3.106030000000     -1.577976000000      0.640536000000
  H                                                 4.789633000000     -0.224249000000      1.852177000000
  H                                                 3.214668000000     -0.166664000000      2.672170000000
  H                                                 3.778918000000      1.207660000000      1.714101000000
  O                                                 5.045903000000      0.164513000000     -0.727103000000
  O                                                 3.268617000000     -0.457965000000     -1.892789000000
  H                                                 2.337352000000     -0.661890000000     -1.716441000000
  C                                                -3.089131000000     -1.160241000000      0.100164000000
  C                                                -3.400222000000      0.208007000000     -0.071750000000
  C                                                -2.391569000000      1.146742000000     -0.088108000000
  O                                                -4.667929000000      0.674281000000     -0.226734000000
  C                                                -5.743851000000     -0.249462000000     -0.217471000000
  H                                                -1.551187000000     -2.602541000000      0.381883000000
  H                                                -3.872302000000     -1.903057000000      0.114825000000
  H                                                -2.648333000000      2.189617000000     -0.220665000000
  H                                                -5.805340000000     -0.783207000000      0.735107000000
  H                                                -5.658506000000     -0.971988000000     -1.034008000000
  H                                                -6.645040000000      0.342621000000     -0.355471000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:28:42 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426660   0.000000
     3  C    1.416185   2.451410   0.000000
     4  C    2.435873   2.833775   1.372697   0.000000
     5  C    2.799559   2.425074   2.403180   1.420621   0.000000
     6  C    2.442052   1.419467   2.787164   2.427496   1.365789
     7  C    1.409711   2.435625   2.477584   3.733110   4.208886
     8  H    2.155439   3.427027   1.084716   2.131306   3.393341
     9  H    3.882359   3.404512   3.379196   2.165488   1.082853
    10  H    3.421307   2.160283   3.870092   3.410124   2.127240
    11  C    3.830235   4.346565   2.517169   1.513038   2.540088
    12  C    4.800315   5.142747   3.601276   2.541233   3.136453
    13  C    4.751871   5.110415   3.553339   2.525808   3.140772
    14  H    3.972849   4.802346   2.557544   2.116471   3.417756
    15  H    5.762283   6.184159   4.478105   3.477415   4.137591
    16  H    4.655537   5.082326   3.547715   2.779524   3.442369
    17  H    5.081497   5.120171   4.067118   2.824456   2.892388
    18  O    5.905696   6.173985   4.702941   3.588207   4.011404
    19  O    4.531512   4.894166   3.532470   2.823598   3.363529
    20  H    3.635214   4.081724   2.733969   2.288582   2.930405
    21  C    2.426827   2.804265   3.731921   4.862695   5.043461
    22  C    2.814011   2.420636   4.229870   5.070118   4.845672
    23  C    2.446652   1.406010   3.733957   4.239556   3.719208
    24  O    4.172336   3.632874   5.587522   6.382772   6.028880
    25  C    5.050058   4.812033   6.444212   7.412063   7.237004
    26  H    2.154034   3.416925   2.706632   4.074288   4.843091
    27  H    3.399415   3.883772   4.598754   5.816371   6.094855
    28  H    3.431811   2.163467   4.611135   4.886957   4.082448
    29  H    5.104570   5.046917   6.445991   7.489307   7.435423
    30  H    5.104338   5.047086   6.445859   7.490705   7.435970
    31  H    6.023856   5.628617   7.432838   8.329898   8.034807
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723250   0.000000
     8  H    3.871851   2.700748   0.000000
     9  H    2.121780   5.291701   4.282906   0.000000
    10  H    1.082950   4.591339   4.954790   2.446125   0.000000
    11  C    3.802439   4.994449   2.722807   2.727494   4.666847
    12  C    4.413177   5.986389   3.830866   2.986307   5.116223
    13  C    4.402314   5.927724   3.776534   3.013810   5.113263
    14  H    4.543373   4.904195   2.299683   3.774616   5.503476
    15  H    5.452344   6.893772   4.532299   3.882243   6.135823
    16  H    4.536562   5.723508   3.700784   3.501091   5.279649
    17  H    4.142473   6.378991   4.532415   2.411554   4.644333
    18  O    5.316083   7.108531   4.900040   3.599104   5.897067
    19  O    4.361028   5.595082   3.768052   3.444786   5.068943
    20  H    3.754512   4.651309   3.024195   3.305879   4.562484
    21  C    4.223222   1.372444   4.068110   6.100737   4.856246
    22  C    3.730948   2.412497   4.856006   5.808610   4.075015
    23  C    2.475224   2.787759   4.598447   4.594312   2.703088
    24  O    4.803942   3.675834   6.206047   6.923236   4.914763
    25  C    6.087796   4.196280   6.882774   8.186995   6.291226
    26  H    4.592172   1.083201   2.476201   5.909605   5.536418
    27  H    5.302642   2.123271   4.750287   7.160126   5.921529
    28  H    2.723149   3.869780   5.550922   4.776178   2.500460
    29  H    6.366668   4.124303   6.785372   8.417915   6.663759
    30  H    6.366535   4.124251   6.786653   8.416474   6.661968
    31  H    6.811048   5.253803   7.923935   8.931300   6.871001
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528348   0.000000
    13  C    1.535074   2.524815   0.000000
    14  H    1.096080   2.142945   2.095457   0.000000
    15  H    2.163804   1.088244   2.725440   2.476927   0.000000
    16  H    2.158345   1.090018   3.468601   2.476114   1.776575
    17  H    2.173176   1.089776   2.823548   3.060243   1.758116
    18  O    2.421967   2.811653   1.197705   2.944454   2.620972
    19  O    2.441053   3.743396   1.353304   2.774634   4.048813
    20  H    2.385856   3.848534   1.910961   2.642995   4.352039
    21  C    6.229525   7.165864   7.109178   6.232698   8.125303
    22  C    6.554151   7.394752   7.348328   6.784423   8.423898
    23  C    5.752464   6.508666   6.473992   6.178884   7.563993
    24  O    7.879961   8.679844   8.634659   8.139979   9.724953
    25  C    8.867681   9.717250   9.664492   8.990079  10.734913
    26  H    5.101576   6.128306   6.063182   4.775595   6.929938
    27  H    7.115894   8.068192   8.006581   7.005653   8.992547
    28  H    6.375689   7.023433   6.997978   6.931747   8.089917
    29  H    8.900512   9.663940   9.838732   8.947241  10.668352
    30  H    8.900620   9.888512   9.601148   8.943624  10.865210
    31  H    9.809498  10.623035  10.572968   9.988197  11.659623
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767778   0.000000
    18  O    3.875327   2.941578   0.000000
    19  O    4.574562   4.005542   2.214734   0.000000
    20  H    4.502759   4.164366   2.999663   0.969504   0.000000
    21  C    6.880428   7.441898   8.283606   6.699702   5.744138
    22  C    7.171209   7.465160   8.471624   6.945007   6.031707
    23  C    6.385457   6.428575   7.529215   6.153833   5.318394
    24  O    8.440745   8.683349   9.740060   8.188192   7.285502
    25  C    9.413392   9.825340  10.809713   9.169228   8.229389
    26  H    5.821708   6.685990   7.239339   5.744898   4.825953
    27  H    7.731767   8.412812   9.193371   7.557217   6.591952
    28  H    6.949485   6.783592   7.972377   6.694474   5.935107
    29  H    9.246236   9.837682  10.990255   9.452424   8.504601
    30  H    9.649742  10.068165  10.768946   8.983053   8.030917
    31  H   10.326656  10.662566  11.698204  10.064039   9.140276
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413660   0.000000
    23  C    2.417480   1.377996   0.000000
    24  O    2.442322   1.359600   2.329002   0.000000
    25  C    2.824526   2.392302   3.633719   1.418096   0.000000
    26  H    2.127173   3.394686   3.870950   4.563119   4.845063
    27  H    1.079513   2.171235   3.396325   2.718889   2.519423
    28  H    3.393933   2.124686   1.082168   2.524886   3.940983
    29  H    2.814800   2.723622   4.007021   2.084014   1.093650
    30  H    2.814866   2.723633   4.007071   2.084019   1.093645
    31  H    3.887247   3.259979   4.337062   2.008865   1.087082
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438888   0.000000
    28  H    4.952936   4.284931   0.000000
    29  H    4.640319   2.318502   4.440481   0.000000
    30  H    4.640422   2.318886   4.440542   1.785208   0.000000
    31  H    5.930009   3.598934   4.404910   1.778186   1.778162
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5217567           0.1966021           0.1926148
 Leave Link  202 at Mon Aug 16 21:28:42 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1131.8048366253 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:28:43 2021, MaxMem=  5637144576 cpu:              12.2 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.09D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  9.08D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Mon Aug 16 21:28:44 2021, MaxMem=  5637144576 cpu:               5.9 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:28:44 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer05_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:28:45 2021, MaxMem=  5637144576 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636527787 LenY=  5636223635
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -765.486102386925    
 DIIS: error= 2.34D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -765.486102386925     IErMin= 1 ErrMin= 2.34D-03
 ErrMax= 2.34D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-02 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.34D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.284 Goal=   None    Shift=    0.000
 GapD=    0.284 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.65D-02 MaxDP=7.24D+00              OVMax= 1.70D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.69D-02    CP:  1.40D+00
 E= -765.499747343915     Delta-E=       -0.013644956990 Rises=F Damp=F
 DIIS: error= 1.38D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -765.499747343915     IErMin= 2 ErrMin= 1.38D-03
 ErrMax= 1.38D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.85D-03 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.38D-02
 Coeff-Com:  0.222D+00 0.778D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.219D+00 0.781D+00
 Gap=     0.288 Goal=   None    Shift=    0.000
 RMSDP=8.72D-03 MaxDP=9.33D-01 DE=-1.36D-02 OVMax= 1.28D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.00D-03    CP:  1.46D+00  1.12D+00
 E= -765.500401959730     Delta-E=       -0.000654615815 Rises=F Damp=F
 DIIS: error= 1.26D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -765.500401959730     IErMin= 3 ErrMin= 1.26D-03
 ErrMax= 1.26D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.99D-03 BMatP= 3.85D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.26D-02
 Coeff-Com: -0.235D-01 0.472D+00 0.552D+00
 Coeff-En:   0.000D+00 0.438D+00 0.562D+00
 Coeff:     -0.232D-01 0.471D+00 0.552D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=3.31D-03 MaxDP=3.58D-01 DE=-6.55D-04 OVMax= 7.52D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.51D-04    CP:  1.48D+00  1.17D+00  1.27D+00
 E= -765.502494733678     Delta-E=       -0.002092773948 Rises=F Damp=F
 DIIS: error= 1.41D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -765.502494733678     IErMin= 4 ErrMin= 1.41D-04
 ErrMax= 1.41D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.38D-05 BMatP= 2.99D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.41D-03
 Coeff-Com: -0.138D-01 0.152D+00 0.216D+00 0.646D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.138D-01 0.152D+00 0.216D+00 0.646D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=4.89D-04 MaxDP=5.49D-02 DE=-2.09D-03 OVMax= 2.71D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.27D-04    CP:  1.48D+00  1.18D+00  1.34D+00  1.06D+00
 E= -765.502523318963     Delta-E=       -0.000028585285 Rises=F Damp=F
 DIIS: error= 9.62D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -765.502523318963     IErMin= 5 ErrMin= 9.62D-05
 ErrMax= 9.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-05 BMatP= 4.38D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.251D-02-0.191D-01 0.394D-02 0.385D+00 0.633D+00
 Coeff:     -0.251D-02-0.191D-01 0.394D-02 0.385D+00 0.633D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=2.30D-04 MaxDP=2.52D-02 DE=-2.86D-05 OVMax= 9.43D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.92D-05    CP:  1.48D+00  1.18D+00  1.39D+00  1.12D+00  1.32D+00
 E= -765.502534912497     Delta-E=       -0.000011593534 Rises=F Damp=F
 DIIS: error= 1.50D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -765.502534912497     IErMin= 6 ErrMin= 1.50D-05
 ErrMax= 1.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.07D-07 BMatP= 1.47D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.137D-03-0.214D-01-0.170D-01 0.109D+00 0.262D+00 0.667D+00
 Coeff:      0.137D-03-0.214D-01-0.170D-01 0.109D+00 0.262D+00 0.667D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=3.12D-05 MaxDP=2.00D-03 DE=-1.16D-05 OVMax= 2.58D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.60D-05    CP:  1.48D+00  1.18D+00  1.40D+00  1.13D+00  1.35D+00
                    CP:  1.27D+00
 E= -765.502535688932     Delta-E=       -0.000000776435 Rises=F Damp=F
 DIIS: error= 7.78D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -765.502535688932     IErMin= 7 ErrMin= 7.78D-06
 ErrMax= 7.78D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.54D-08 BMatP= 7.07D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.447D-03-0.577D-02-0.723D-02-0.108D-01 0.110D-01 0.258D+00
 Coeff-Com:  0.755D+00
 Coeff:      0.447D-03-0.577D-02-0.723D-02-0.108D-01 0.110D-01 0.258D+00
 Coeff:      0.755D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.42D-05 MaxDP=1.09D-03 DE=-7.76D-07 OVMax= 1.41D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.78D-06    CP:  1.48D+00  1.18D+00  1.40D+00  1.13D+00  1.38D+00
                    CP:  1.33D+00  1.23D+00
 E= -765.502535817584     Delta-E=       -0.000000128652 Rises=F Damp=F
 DIIS: error= 3.44D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -765.502535817584     IErMin= 8 ErrMin= 3.44D-06
 ErrMax= 3.44D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-08 BMatP= 8.54D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.137D-03 0.370D-03-0.647D-03-0.163D-01-0.273D-01 0.232D-01
 Coeff-Com:  0.286D+00 0.735D+00
 Coeff:      0.137D-03 0.370D-03-0.647D-03-0.163D-01-0.273D-01 0.232D-01
 Coeff:      0.286D+00 0.735D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=7.10D-06 MaxDP=6.59D-04 DE=-1.29D-07 OVMax= 6.50D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.37D-06    CP:  1.48D+00  1.18D+00  1.40D+00  1.13D+00  1.39D+00
                    CP:  1.36D+00  1.29D+00  1.10D+00
 E= -765.502535838025     Delta-E=       -0.000000020441 Rises=F Damp=F
 DIIS: error= 1.56D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -765.502535838025     IErMin= 9 ErrMin= 1.56D-06
 ErrMax= 1.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-09 BMatP= 1.15D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.342D-04 0.128D-02 0.118D-02-0.425D-02-0.136D-01-0.435D-01
 Coeff-Com: -0.436D-01 0.300D+00 0.803D+00
 Coeff:     -0.342D-04 0.128D-02 0.118D-02-0.425D-02-0.136D-01-0.435D-01
 Coeff:     -0.436D-01 0.300D+00 0.803D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=2.86D-06 MaxDP=2.16D-04 DE=-2.04D-08 OVMax= 3.50D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.09D-06    CP:  1.48D+00  1.18D+00  1.40D+00  1.13D+00  1.40D+00
                    CP:  1.37D+00  1.31D+00  1.13D+00  1.08D+00
 E= -765.502535842468     Delta-E=       -0.000000004444 Rises=F Damp=F
 DIIS: error= 3.71D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -765.502535842468     IErMin=10 ErrMin= 3.71D-07
 ErrMax= 3.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-10 BMatP= 2.22D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.296D-04 0.393D-03 0.471D-03 0.470D-03-0.134D-02-0.168D-01
 Coeff-Com: -0.460D-01 0.952D-02 0.256D+00 0.797D+00
 Coeff:     -0.296D-04 0.393D-03 0.471D-03 0.470D-03-0.134D-02-0.168D-01
 Coeff:     -0.460D-01 0.952D-02 0.256D+00 0.797D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=5.05D-07 MaxDP=3.22D-05 DE=-4.44D-09 OVMax= 1.29D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.66D-07    CP:  1.48D+00  1.18D+00  1.40D+00  1.13D+00  1.40D+00
                    CP:  1.37D+00  1.31D+00  1.14D+00  1.05D+00  1.12D+00
 E= -765.502535843099     Delta-E=       -0.000000000631 Rises=F Damp=F
 DIIS: error= 2.56D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -765.502535843099     IErMin=11 ErrMin= 2.56D-07
 ErrMax= 2.56D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.32D-11 BMatP= 2.15D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.616D-05-0.696D-04-0.194D-04 0.108D-02 0.219D-02 0.699D-03
 Coeff-Com: -0.124D-01-0.543D-01-0.357D-01 0.356D+00 0.742D+00
 Coeff:     -0.616D-05-0.696D-04-0.194D-04 0.108D-02 0.219D-02 0.699D-03
 Coeff:     -0.124D-01-0.543D-01-0.357D-01 0.356D+00 0.742D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=4.26D-07 MaxDP=3.88D-05 DE=-6.31D-10 OVMax= 5.13D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.70D-07    CP:  1.48D+00  1.18D+00  1.40D+00  1.13D+00  1.40D+00
                    CP:  1.37D+00  1.31D+00  1.13D+00  1.06D+00  1.19D+00
                    CP:  1.13D+00
 E= -765.502535843105     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 6.03D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -765.502535843105     IErMin=12 ErrMin= 6.03D-08
 ErrMax= 6.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.83D-12 BMatP= 5.32D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.111D-05-0.700D-04-0.627D-04 0.336D-03 0.988D-03 0.205D-02
 Coeff-Com:  0.725D-03-0.209D-01-0.404D-01 0.396D-01 0.267D+00 0.751D+00
 Coeff:      0.111D-05-0.700D-04-0.627D-04 0.336D-03 0.988D-03 0.205D-02
 Coeff:      0.725D-03-0.209D-01-0.404D-01 0.396D-01 0.267D+00 0.751D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.64D-07 MaxDP=1.39D-05 DE=-5.46D-12 OVMax= 1.48D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.29D-08    CP:  1.48D+00  1.18D+00  1.40D+00  1.13D+00  1.40D+00
                    CP:  1.37D+00  1.31D+00  1.12D+00  1.05D+00  1.22D+00
                    CP:  1.15D+00  1.10D+00
 E= -765.502535843114     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 4.51D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -765.502535843114     IErMin=13 ErrMin= 4.51D-08
 ErrMax= 4.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-12 BMatP= 4.83D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.146D-05-0.200D-04-0.254D-04-0.251D-04 0.944D-04 0.759D-03
 Coeff-Com:  0.223D-02-0.558D-03-0.118D-01-0.381D-01-0.378D-02 0.340D+00
 Coeff-Com:  0.711D+00
 Coeff:      0.146D-05-0.200D-04-0.254D-04-0.251D-04 0.944D-04 0.759D-03
 Coeff:      0.223D-02-0.558D-03-0.118D-01-0.381D-01-0.378D-02 0.340D+00
 Coeff:      0.711D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=4.54D-08 MaxDP=3.05D-06 DE=-9.55D-12 OVMax= 5.64D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.33D-08    CP:  1.48D+00  1.18D+00  1.40D+00  1.13D+00  1.40D+00
                    CP:  1.37D+00  1.30D+00  1.12D+00  1.05D+00  1.21D+00
                    CP:  1.18D+00  1.17D+00  9.94D-01
 E= -765.502535843091     Delta-E=        0.000000000023 Rises=F Damp=F
 DIIS: error= 7.71D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -765.502535843114     IErMin=14 ErrMin= 7.71D-09
 ErrMax= 7.71D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.86D-14 BMatP= 1.01D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.283D-06 0.306D-05 0.554D-06-0.507D-04-0.972D-04-0.324D-04
 Coeff-Com:  0.589D-03 0.246D-02 0.157D-02-0.163D-01-0.356D-01 0.106D-01
 Coeff-Com:  0.211D+00 0.826D+00
 Coeff:      0.283D-06 0.306D-05 0.554D-06-0.507D-04-0.972D-04-0.324D-04
 Coeff:      0.589D-03 0.246D-02 0.157D-02-0.163D-01-0.356D-01 0.106D-01
 Coeff:      0.211D+00 0.826D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.47D-08 MaxDP=1.07D-06 DE= 2.34D-11 OVMax= 2.07D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  8.61D-09    CP:  1.48D+00  1.18D+00  1.40D+00  1.13D+00  1.40D+00
                    CP:  1.37D+00  1.30D+00  1.12D+00  1.05D+00  1.21D+00
                    CP:  1.18D+00  1.18D+00  1.04D+00  9.57D-01
 E= -765.502535843144     Delta-E=       -0.000000000053 Rises=F Damp=F
 DIIS: error= 4.97D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -765.502535843144     IErMin=15 ErrMin= 4.97D-09
 ErrMax= 4.97D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.42D-15 BMatP= 6.86D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.430D-07 0.286D-05 0.266D-05-0.129D-04-0.390D-04-0.820D-04
 Coeff-Com: -0.397D-04 0.736D-03 0.162D-02-0.711D-03-0.102D-01-0.338D-01
 Coeff-Com: -0.182D-01 0.259D+00 0.802D+00
 Coeff:     -0.430D-07 0.286D-05 0.266D-05-0.129D-04-0.390D-04-0.820D-04
 Coeff:     -0.397D-04 0.736D-03 0.162D-02-0.711D-03-0.102D-01-0.338D-01
 Coeff:     -0.182D-01 0.259D+00 0.802D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=7.32D-09 MaxDP=8.21D-07 DE=-5.28D-11 OVMax= 1.08D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -765.502535843     A.U. after   15 cycles
            NFock= 15  Conv=0.73D-08     -V/T= 2.0045
 KE= 7.620922176019D+02 PE=-4.049820667179D+03 EE= 1.390421077109D+03
 Leave Link  502 at Mon Aug 16 21:42:20 2021, MaxMem=  5637144576 cpu:            6488.8 elap:             814.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.10126704D+03

 Leave Link  801 at Mon Aug 16 21:42:20 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 5.07D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 2.58D-01 9.73D-02.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 8.02D-02 1.47D-01.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 1.24D-02 4.67D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 3.48D-03 1.75D-02.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 5.62D-04 6.29D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 4.47D-05 1.24D-03.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 3.16D-06 3.01D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 1.72D-07 6.55D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 6.40D-09 1.62D-05.
     11 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 2.37D-10 2.70D-06.
      9 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 1.16D-11 5.41D-07.
      7 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 5.22D-13 1.33D-07.
      3 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 1.23D-13 2.36D-08.
      3 vectors produced by pass 14 Test12= 4.61D-13 8.33D-09 XBig12= 6.73D-14 1.99D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   143 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.324496D+03
      2  0.152539D+02  0.172958D+03
      3  0.118963D+02 -0.371691D+01  0.125209D+03
 Isotropic polarizability for W=    0.088559      207.55 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.371727D+03 -0.110768D+02 -0.492305D+02
      2   0.151554D+03  0.158859D+02 -0.450669D+01
      3   0.220172D+03 -0.480917D+01  0.537372D+02
      4  -0.206443D+02 -0.149604D+03  0.237312D+02
      5   0.280475D+02  0.221029D+02  0.716834D+02
      6   0.575428D+01  0.461017D+02 -0.259199D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.930079D+01  0.277078D+02  0.786574D+01
      2  -0.504826D+02  0.104461D+02  0.306486D+02
      3   0.833047D+01  0.599367D+02 -0.739980D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.162828D+01  0.506084D+02  0.211108D+02
      2  -0.772779D+02  0.179769D+02 -0.148489D+03
      3  -0.956757D+01  0.301158D+03 -0.163486D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.111609D+01  0.236001D+01 -0.260615D+01
      2   0.236001D+01 -0.385607D+01 -0.356268D+01
      3  -0.260615D+01 -0.356268D+01 -0.351449D+01
 OR G Eigenvalues:    -7.2533    -3.0690     4.0678  Iso=     2.0848
 Eigenvectors:
   (1)   0.013542   0.719153   0.694720
   (2)   0.642883  -0.538407   0.544811
   (3)   0.765845   0.439246  -0.469622
 w=    0.088559 a.u., Optical Rotation Beta=      2.0848 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      459.12 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 4.98D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.34D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 3.96D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 8.91D-02 7.97D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 1.04D-02 2.60D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 2.25D-04 2.73D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 1.02D-05 3.96D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 2.76D-07 7.96D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 5.09D-09 8.57D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 9.50D-11 1.04D-06.
     30 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 1.12D-12 1.07D-07.
     15 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 4.05D-14 1.55D-08.
     10 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 5.31D-14 1.59D-08.
      3 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 1.43D-14 6.40D-09.
      3 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 1.30D-14 5.91D-09.
      3 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 2.53D-14 9.58D-09.
      1 vectors produced by pass 14 Test12= 7.68D-14 2.78D-09 XBig12= 1.82D-14 6.96D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   305 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.30D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.30D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.46D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.324496D+03  0.152539D+02  0.118963D+02
      2   0.152539D+02  0.172958D+03 -0.371691D+01
      3   0.118963D+02 -0.371691D+01  0.125209D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.930079D+01  0.277078D+02  0.786574D+01
      2  -0.504826D+02  0.104461D+02  0.306486D+02
      3   0.833047D+01  0.599367D+02 -0.739980D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.371727D+03 -0.110768D+02 -0.492305D+02
      2   0.151554D+03  0.158859D+02 -0.450669D+01
      3   0.220172D+03 -0.480917D+01  0.537372D+02
      4  -0.206443D+02 -0.149604D+03  0.237312D+02
      5   0.280475D+02  0.221029D+02  0.716834D+02
      6   0.575428D+01  0.461017D+02 -0.259199D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.423550D+02  0.859808D+01  0.145352D+01 -0.498109D+02 -0.447733D+01
      2   0.859808D+01  0.359269D+01  0.322782D+00 -0.447733D+01 -0.574686D+01
      3   0.145352D+01  0.322782D+00 -0.368120D+00 -0.275038D+01  0.186313D+00
                 6             7             8             9            10 
      1  -0.275038D+01  0.832089D+01  0.132382D+01  0.182397D+01 -0.331673D+02
      2   0.186313D+00  0.132382D+01  0.674942D+00 -0.114851D+01 -0.670456D+01
      3   0.189979D-02  0.182397D+01 -0.114851D+01  0.411510D+00 -0.106110D+01
                11            12            13            14            15 
      1  -0.670456D+01 -0.106110D+01  0.540660D+02  0.570012D+01  0.315508D+01
      2  -0.582886D+00 -0.288071D+00  0.570012D+01  0.676611D+01 -0.109687D+00
      3  -0.288071D+00 -0.665848D-01  0.315508D+01 -0.109687D+00 -0.214988D+00
                16            17            18            19            20 
      1  -0.852257D+01 -0.127859D+01 -0.920855D+00 -0.553522D+02 -0.103678D+02
      2  -0.127859D+01 -0.584834D+00  0.104558D+01 -0.103678D+02 -0.935774D+01
      3  -0.920855D+00  0.104558D+01 -0.170498D+00 -0.115698D+01  0.324456D+00
                21            22            23            24            25 
      1  -0.115698D+01 -0.169558D+02 -0.196185D+01  0.380142D+00 -0.269417D+01
      2   0.324456D+00 -0.196185D+01 -0.398986D+01 -0.603942D+00  0.283676D+00
      3  -0.585241D+00  0.380142D+00 -0.603942D+00 -0.202595D+01  0.955562D+00
                26            27            28            29            30 
      1   0.283676D+00  0.955562D+00  0.556853D+02  0.383732D+01  0.955074D+00
      2  -0.114473D+01 -0.364622D+01  0.383732D+01  0.595693D+01 -0.152816D-01
      3  -0.364622D+01  0.118215D+01  0.955074D+00 -0.152816D-01  0.226275D+01
                31            32            33            34            35 
      1   0.230082D+01  0.428925D+01  0.589110D+00  0.282857D+00  0.644770D+00
      2   0.428925D+01  0.135977D+02 -0.578848D+00  0.644770D+00 -0.249982D+00
      3   0.589110D+00 -0.578848D+00  0.350467D+00  0.667846D+01  0.538935D+00
                36            37            38            39            40 
      1   0.667846D+01  0.813508D+01 -0.759132D+00  0.429232D+00  0.937414D+01
      2   0.538935D+00 -0.759132D+00  0.120636D+02 -0.871130D+00  0.132456D+00
      3   0.675534D+00  0.429232D+00 -0.871130D+00  0.213928D+01  0.375573D+00
                41            42            43            44            45 
      1   0.132456D+00  0.375573D+00  0.169877D-01  0.236595D+00  0.444684D+01
      2  -0.842900D+01  0.105536D+01  0.236595D+00  0.239072D+01  0.180711D+01
      3   0.105536D+01  0.952557D+00  0.444684D+01  0.180711D+01  0.626296D+00
                46            47            48            49            50 
      1  -0.111103D+02  0.226051D+01 -0.138336D+01  0.247010D+01  0.307087D+01
      2   0.226051D+01 -0.861205D+01  0.142995D+00  0.307087D+01  0.520635D+00
      3  -0.138336D+01  0.142995D+00 -0.131794D+01 -0.272217D+00  0.884981D+00
                51            52            53            54            55 
      1  -0.272217D+00 -0.102733D+01 -0.647607D+00 -0.709633D+00  0.935235D+00
      2   0.884981D+00 -0.647607D+00  0.202597D+00  0.435444D+01 -0.347149D+01
      3   0.150597D+01 -0.709633D+00  0.435444D+01 -0.107129D+01  0.485067D+00
                56            57            58            59            60 
      1  -0.347149D+01  0.485067D+00 -0.430629D+01 -0.451786D+01  0.359155D+00
      2   0.603067D+01 -0.470568D+00 -0.451786D+01 -0.210125D+01 -0.720335D+00
      3  -0.470568D+00  0.205019D+01  0.359155D+00 -0.720335D+00 -0.144447D+01
                61            62            63            64            65 
      1   0.689379D+00  0.507695D+00 -0.344843D+00  0.362431D+00 -0.199345D+01
      2   0.507695D+00 -0.137032D+00 -0.414801D+01 -0.199345D+01  0.103225D+01
      3  -0.344843D+00 -0.414801D+01  0.132273D+01  0.287327D+00 -0.260816D+00
                66            67            68            69            70 
      1   0.287327D+00 -0.223352D+01  0.266622D+01 -0.474869D+00  0.520900D+00
      2  -0.260816D+00  0.266622D+01 -0.778571D+01  0.111105D+01 -0.527035D+00
      3   0.163698D+00 -0.474869D+00  0.111105D+01 -0.104706D+01 -0.400192D-01
                71            72            73            74            75 
      1  -0.527035D+00 -0.400192D-01  0.725357D+01  0.313260D+01  0.327646D+00
      2   0.100762D+01 -0.271261D+00  0.313260D+01  0.285451D+01 -0.181151D-01
      3  -0.271261D+00  0.231659D+00  0.327646D+00 -0.181151D-01  0.647748D+00
                76            77            78            79            80 
      1   0.441023D+01  0.407504D+01 -0.107017D+00  0.284966D+00 -0.348824D+00
      2   0.407504D+01  0.418601D+01  0.108490D-01 -0.348824D+00 -0.236970D+00
      3  -0.107017D+00  0.108490D-01  0.675357D+00 -0.278223D+00  0.290620D+00
                81            82            83            84            85 
      1  -0.278223D+00 -0.678729D+00  0.137269D+01 -0.204813D+00  0.641565D+00
      2   0.290620D+00  0.137269D+01 -0.165337D+01  0.254744D+00 -0.664609D+00
      3  -0.164016D+00 -0.204813D+00  0.254744D+00 -0.152865D+00  0.372661D-01
                86            87            88            89            90 
      1  -0.664609D+00  0.372661D-01 -0.268477D+00  0.212776D+00  0.107747D+00
      2   0.108557D+02 -0.102445D+01  0.212776D+00 -0.131048D+01  0.272018D+00
      3  -0.102445D+01  0.110715D+01  0.107747D+00  0.272018D+00 -0.170204D+00
                91            92            93            94            95 
      1  -0.204235D+02 -0.150086D+01  0.131973D+00  0.214242D+00 -0.191088D+00
      2  -0.150086D+01  0.313018D+00 -0.542363D+00 -0.191088D+00  0.494438D+01
      3   0.131973D+00 -0.542363D+00 -0.306016D+01 -0.216994D+01 -0.647759D+00
                96            97            98            99           100 
      1  -0.216994D+01  0.100481D+01 -0.128182D+01 -0.745141D+01 -0.581547D+01
      2  -0.647759D+00 -0.128182D+01 -0.388867D+00 -0.684078D+00  0.270037D+01
      3  -0.526412D+00 -0.745141D+01 -0.684078D+00  0.495784D+00 -0.182160D+01
               101           102           103           104           105 
      1   0.270037D+01 -0.182160D+01  0.758644D+01 -0.233956D+00  0.154587D+01
      2  -0.613327D+00  0.202508D+00 -0.233956D+00 -0.472430D+01 -0.151720D+00
      3   0.202508D+00  0.345231D+01  0.154587D+01 -0.151720D+00  0.240376D+01
               106           107           108           109           110 
      1   0.412928D+01  0.944599D+00  0.526024D+01 -0.752903D+01 -0.175654D+01
      2   0.944599D+00  0.416426D+00  0.180374D+01 -0.175654D+01 -0.187496D+00
      3   0.526024D+01  0.180374D+01 -0.814092D+00  0.803107D+00  0.606187D+00
               111           112           113           114           115 
      1   0.803107D+00 -0.238554D+01 -0.391239D-01  0.141853D+01 -0.102519D+02
      2   0.606187D+00 -0.391239D-01 -0.827630D+00 -0.640566D-01  0.409802D+00
      3   0.957748D+00  0.141853D+01 -0.640566D-01  0.417565D+00  0.503861D+01
               116           117           118           119           120 
      1   0.409802D+00  0.503861D+01 -0.168142D+01 -0.945278D+00  0.106175D+00
      2  -0.909643D+00  0.427433D+00 -0.945278D+00  0.410742D+00 -0.138832D-01
      3   0.427433D+00 -0.586800D+00  0.106175D+00 -0.138832D-01  0.754383D+00
               121           122           123           124           125 
      1  -0.311095D+01  0.174419D+01 -0.128446D+00 -0.394227D+00 -0.742495D-01
      2   0.174419D+01 -0.659915D+01  0.859812D+00 -0.742495D-01  0.698945D+00
      3  -0.128446D+00  0.859812D+00 -0.170846D+01  0.115676D+01 -0.967570D+00
               126           127           128           129           130 
      1   0.115676D+01  0.146414D+02 -0.161029D+01  0.357654D+01 -0.393678D+01
      2  -0.967570D+00 -0.161029D+01  0.135425D+01 -0.258319D+00  0.161472D+01
      3   0.744368D+00  0.357654D+01 -0.258319D+00  0.232835D+01 -0.120182D+01
               131           132           133           134           135 
      1   0.161472D+01 -0.120182D+01  0.125846D+01 -0.316442D+00  0.116805D+01
      2  -0.506838D+00  0.446859D+00 -0.316442D+00 -0.117427D-01 -0.442147D+00
      3   0.446859D+00 -0.115631D+01  0.116805D+01 -0.442147D+00  0.698351D+00
               136           137           138           139           140 
      1  -0.736003D+00 -0.386734D+00  0.807140D+00 -0.119698D+01  0.762136D-01
      2  -0.386734D+00 -0.514220D+00  0.182348D+00  0.762136D-01 -0.167911D+00
      3   0.807140D+00  0.182348D+00 -0.344237D+01 -0.253686D+00  0.108177D+01
               141           142           143           144           145 
      1  -0.253686D+00  0.752229D+00 -0.842952D-01 -0.372796D+00  0.893453D+00
      2   0.108177D+01 -0.842952D-01  0.108375D+01 -0.840877D+00  0.716670D+00
      3  -0.193837D+01 -0.372796D+00 -0.840877D+00  0.756994D+01  0.868049D-01
               146           147           148           149           150 
      1   0.716670D+00  0.868049D-01  0.283489D+01  0.130088D+01  0.105513D+01
      2   0.511123D+00  0.573232D-01  0.130088D+01  0.634945D+01  0.119062D+01
      3   0.573232D-01 -0.347519D+00  0.105513D+01  0.119062D+01  0.192781D+01
               151           152           153           154           155 
      1  -0.500146D+00  0.918017D-01 -0.232402D+00  0.208200D+02  0.228505D+01
      2   0.918017D-01  0.465914D-01  0.557947D+00  0.228505D+01  0.165865D+01
      3  -0.232402D+00  0.557947D+00  0.316957D+00 -0.152683D+01 -0.110470D+00
               156           157           158           159           160 
      1  -0.152683D+01  0.463374D+01  0.418838D+01 -0.734119D+00 -0.198288D+01
      2  -0.110470D+00  0.418838D+01  0.214988D+01 -0.327134D+00 -0.463791D+00
      3   0.323552D+01 -0.734119D+00 -0.327134D+00  0.902761D+00  0.248820D+01
               161           162           163           164           165 
      1  -0.463791D+00  0.248820D+01  0.148994D+02  0.772923D-01 -0.447960D+01
      2   0.326862D+00  0.610493D+00  0.772923D-01  0.693465D-01  0.523500D+00
      3   0.610493D+00  0.268511D-01 -0.447960D+01  0.523500D+00  0.110895D+01
               166           167           168           169           170 
      1   0.313431D+01 -0.925232D-01 -0.443722D+00 -0.788431D+00  0.733666D+00
      2  -0.925232D-01 -0.730731D+00 -0.159649D+01  0.733666D+00 -0.765287D+00
      3  -0.443722D+00 -0.159649D+01 -0.133205D+00  0.511732D+00 -0.106002D+01
               171           172           173           174           175 
      1   0.511732D+00 -0.119778D+02  0.121892D+00  0.241670D+01 -0.136106D+01
      2  -0.106002D+01  0.121892D+00 -0.424777D+00 -0.764447D+00  0.258619D+00
      3  -0.760181D+01  0.241670D+01 -0.764447D+00 -0.313771D+01  0.850104D-01
               176           177           178           179           180 
      1   0.258619D+00  0.850104D-01  0.706309D+01 -0.603498D+00 -0.242548D+01
      2  -0.842448D+00 -0.837243D+00 -0.603498D+00 -0.103220D+01  0.677391D-01
      3  -0.837243D+00 -0.682983D+00 -0.242548D+01  0.677391D-01 -0.369527D+00
               181           182           183           184           185 
      1  -0.626179D+01  0.148439D+00  0.434770D-01 -0.144146D+02 -0.968705D+00
      2   0.148439D+00 -0.102534D+02  0.124272D+01 -0.968705D+00  0.548477D+01
      3   0.434770D-01  0.124272D+01 -0.266302D+01 -0.134130D+01 -0.128299D+01
               186           187           188           189           190 
      1  -0.134130D+01  0.179582D+01 -0.126889D+00 -0.423888D+01 -0.382303D+02
      2  -0.128299D+01 -0.126889D+00 -0.202667D+01 -0.253859D+01 -0.476050D+01
      3  -0.118810D+01 -0.423888D+01 -0.253859D+01 -0.136141D+00 -0.124522D+01
               191           192           193           194           195 
      1  -0.476050D+01 -0.124522D+01 -0.501279D+00 -0.414801D+01 -0.211283D+00
      2  -0.984351D+01  0.375416D+00 -0.414801D+01 -0.111066D+02  0.121765D+01
      3   0.375416D+00 -0.359564D+01 -0.211283D+00  0.121765D+01  0.435851D+00
               196           197           198           199           200 
      1  -0.190750D+01 -0.696070D+00 -0.718458D+01  0.425108D+02  0.959675D+01
      2  -0.696070D+00  0.323939D+00 -0.318981D+00  0.959675D+01  0.742485D+01
      3  -0.718458D+01 -0.318981D+00 -0.131623D+01  0.159057D+01 -0.623989D+00
               201           202           203           204           205 
      1   0.159057D+01  0.154795D+02  0.301792D+01  0.594928D+00  0.189902D+01
      2  -0.623989D+00  0.301792D+01  0.481854D+01  0.413830D+00  0.706420D-01
      3   0.730973D+00  0.594928D+00  0.413830D+00  0.217669D+01  0.108712D+00
               206           207           208           209           210 
      1   0.706420D-01  0.108712D+00  0.688116D+01  0.320745D+01  0.210003D+00
      2   0.111772D+01  0.450367D+01  0.320745D+01  0.343718D+01 -0.121619D+00
      3   0.450367D+01 -0.113294D+01  0.210003D+00 -0.121619D+00 -0.936998D-01
               211           212           213           214           215 
      1  -0.441124D+01 -0.408298D+01  0.169730D+00  0.107540D+01  0.621488D+00
      2  -0.408298D+01  0.107717D+01 -0.501257D+00  0.621488D+00  0.308687D+00
      3   0.169730D+00 -0.501257D+00 -0.112336D+01 -0.280275D+00  0.701949D+00
               216           217           218           219           220 
      1  -0.280275D+00 -0.120356D+01 -0.406559D+01  0.775109D-02 -0.111102D+01
      2   0.701949D+00 -0.406559D+01 -0.466554D+00 -0.582679D+00  0.381364D+01
      3  -0.799326D-01  0.775109D-02 -0.582679D+00  0.106958D+01 -0.720744D+00
               221           222           223           224           225 
      1   0.381364D+01 -0.720744D+00 -0.533604D+00 -0.783696D+00  0.339100D+01
      2   0.147739D+01  0.128289D+01 -0.783696D+00  0.802464D+00  0.445841D+01
      3   0.128289D+01  0.617949D+01  0.339100D+01  0.445841D+01 -0.108331D+01
               226           227           228           229           230 
      1   0.254090D+00 -0.134875D+01  0.171576D+00 -0.434107D+00  0.127339D+00
      2  -0.134875D+01  0.160204D+01 -0.276408D+00  0.127339D+00 -0.102989D+02
      3   0.171576D+00 -0.276408D+00  0.147993D+00  0.200237D-01  0.106936D+01
               231           232           233           234           235 
      1   0.200237D-01  0.491840D-01 -0.115134D+00 -0.612156D-01 -0.774874D+01
      2   0.106936D+01 -0.115134D+00  0.120880D+01 -0.252833D+00 -0.336980D+01
      3  -0.108548D+01 -0.612156D-01 -0.252833D+00  0.146255D+00 -0.243778D+00
               236           237           238           239           240 
      1  -0.336980D+01 -0.243778D+00 -0.519140D+01 -0.426003D+01  0.171206D+00
      2  -0.278585D+01  0.166869D-01 -0.426003D+01 -0.424920D+01  0.604027D-01
      3   0.166869D-01 -0.396347D+00  0.171206D+00  0.604027D-01 -0.617471D+00
               241           242           243           244           245 
      1  -0.174391D+00  0.238730D+00  0.443007D+00 -0.446698D+00  0.216913D+01
      2   0.238730D+00  0.202530D+00 -0.945713D-01  0.216913D+01 -0.170048D+01
      3   0.443007D+00 -0.945713D-01  0.131453D+00 -0.220989D+00  0.306727D+00
               246           247           248           249           250 
      1  -0.220989D+00  0.280406D+01 -0.327133D+01  0.433503D+00 -0.290806D+00
      2   0.306727D+00 -0.327133D+01  0.894109D+01 -0.105230D+01  0.497531D+00
      3  -0.330808D+00  0.433503D+00 -0.105230D+01  0.115201D+01 -0.281084D+00
               251           252           253           254           255 
      1   0.497531D+00 -0.281084D+00 -0.669074D+00 -0.261008D+00  0.151166D+01
      2  -0.107227D+01  0.227665D+00 -0.261008D+00 -0.309632D-01  0.464705D+00
      3   0.227665D+00 -0.191601D+00  0.151166D+01  0.464705D+00 -0.414352D+00
               256           257           258           259           260 
      1  -0.260239D+01 -0.207043D+01  0.155864D+01  0.611890D+01  0.174134D+01
      2  -0.207043D+01 -0.192631D+01  0.148469D+01  0.174134D+01  0.179487D+01
      3   0.155864D+01  0.148469D+01 -0.256902D+01 -0.377957D+01 -0.239897D+01
               261           262           263           264           265 
      1  -0.377957D+01  0.582411D+00 -0.186461D+00 -0.882436D+00 -0.315343D+01
      2  -0.239897D+01 -0.186461D+00  0.187835D+00 -0.106970D+00 -0.245968D+01
      3   0.522690D+01 -0.882436D+00 -0.106970D+00  0.143948D+00 -0.177680D+01
               266           267           268           269           270 
      1  -0.245968D+01 -0.177680D+01 -0.432873D+01 -0.159877D+01 -0.324717D+01
      2  -0.320854D+01 -0.247455D+01 -0.159877D+01 -0.238613D+01 -0.287328D+01
      3  -0.247455D+01 -0.327840D+01 -0.324717D+01 -0.287328D+01 -0.452042D+01
               271           272           273           274           275 
      1  -0.131775D+02  0.326399D+01 -0.117464D+01  0.716729D+01 -0.263638D+01
      2   0.326399D+01 -0.147304D+01  0.302032D+00 -0.263638D+01  0.207237D+01
      3  -0.117464D+01  0.302032D+00 -0.122105D+01  0.637437D+00 -0.383676D+00
               276           277           278           279 
      1   0.637437D+00 -0.159705D+01  0.387778D+00 -0.173046D+01
      2  -0.383676D+00  0.387778D+00 -0.350660D+00  0.181817D-01
      3   0.550714D+00 -0.173046D+01  0.181817D-01 -0.397915D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.131781D+01 -0.354723D+01 -0.476255D-01 -0.336529D+01 -0.216912D+01
      2  -0.118074D+02  0.365051D+01 -0.196901D-01  0.150613D+02  0.306260D+01
      3  -0.958301D+01  0.430715D+02 -0.543358D+01  0.465299D+02  0.228453D+02
                 6             7             8             9            10 
      1  -0.253883D+00  0.433748D+01  0.709131D+01 -0.609704D+00 -0.166371D+01
      2   0.723042D-01 -0.220132D+02 -0.203043D+01 -0.157480D+01  0.146013D+02
      3   0.144879D+00 -0.175751D+01  0.162389D+01 -0.214977D+01  0.222914D+02
                11            12            13            14            15 
      1  -0.482668D+01 -0.248505D+00 -0.401629D+01  0.785742D+00  0.405031D+00
      2   0.734246D+01 -0.478266D+01 -0.864782D+01  0.100103D+01 -0.966336D-01
      3   0.527229D+02 -0.393757D+01  0.602367D+02  0.173025D+02  0.262438D+01
                16            17            18            19            20 
      1   0.314718D+01  0.674010D+01 -0.468549D+00 -0.219325D+01  0.470371D+00
      2  -0.209436D+02 -0.162752D+00 -0.159291D+01  0.213058D+02 -0.343151D+00
      3  -0.139489D+01  0.306589D+01  0.116617D+01  0.261270D+02 -0.300137D+02
                21            22            23            24            25 
      1  -0.935475D+00  0.178563D+01 -0.192326D+01 -0.275007D+01  0.445024D+01
      2  -0.668578D+00  0.502866D+01  0.574763D+00 -0.217688D+01 -0.186718D+02
      3   0.516773D+01  0.902500D+01  0.406092D+01  0.400318D+00  0.212442D+01
                26            27            28            29            30 
      1  -0.612661D+00 -0.128052D+01 -0.261415D+01 -0.866550D+00  0.666336D-01
      2  -0.728076D+01  0.469154D+00 -0.201867D+02 -0.633023D+00  0.107736D+01
      3  -0.179412D+01  0.425265D+01 -0.283839D+00  0.703829D+01 -0.122264D+01
                31            32            33            34            35 
      1  -0.458523D+01  0.580708D+01  0.175786D+01  0.211066D+01  0.140793D+02
      2   0.296510D+01 -0.113971D+01  0.199522D+01 -0.169537D+02 -0.218425D+01
      3   0.308462D+02  0.366439D+01 -0.112366D+01  0.366841D+00  0.147691D+01
                36            37            38            39            40 
      1  -0.116589D+01 -0.117563D+01  0.165526D+01 -0.508090D+01 -0.880658D+00
      2  -0.210191D+01  0.286989D+01  0.365669D+00  0.305110D+01 -0.707195D+01
      3  -0.194544D+01  0.324182D+02  0.136189D+01  0.636590D+00 -0.119997D+02
                41            42            43            44            45 
      1  -0.201071D+01  0.233880D+00 -0.156784D+02  0.919640D+01 -0.209099D+01
      2   0.133300D+01  0.290868D+00 -0.786454D+01  0.643479D+01 -0.123526D+01
      3   0.443727D+01  0.994299D+00  0.270339D+01  0.141902D+01  0.592252D+01
                46            47            48            49            50 
      1   0.378585D+01  0.129789D+01  0.459085D+01  0.253125D+01  0.103721D+01
      2  -0.450879D+01 -0.514723D+01  0.317059D+00 -0.410452D+01 -0.328307D+01
      3  -0.610833D+02 -0.343291D+02  0.502552D+00 -0.110119D+02 -0.234774D+02
                51            52            53            54            55 
      1  -0.302052D+01  0.579657D+01 -0.410057D+01  0.298636D+01  0.129715D+01
      2   0.840428D+00 -0.181052D+02  0.199775D+01 -0.192071D+01 -0.424940D+00
      3   0.570488D+00 -0.166393D+01 -0.137325D+01 -0.513875D+01 -0.321872D+02
                56            57            58            59            60 
      1   0.500397D+01  0.432202D+01 -0.204561D+00  0.101072D+01 -0.299918D+01
      2  -0.476405D+01 -0.604679D+01 -0.147519D+01 -0.663732D+00  0.336005D+01
      3  -0.359471D+02  0.372067D+01 -0.125722D+01 -0.255058D+02  0.109008D+01
                61            62            63            64            65 
      1   0.311905D+01 -0.358586D+01  0.139451D+01 -0.591785D+00  0.181236D-01
      2  -0.231553D+02  0.616483D+01 -0.428981D+01  0.332376D+00  0.480646D+00
      3   0.936845D+00 -0.233529D+01 -0.950225D+01  0.864408D+00  0.174050D-01
                66            67            68            69            70 
      1   0.836453D+00  0.623327D+00 -0.196832D+01 -0.403552D+01 -0.130794D-01
      2   0.115554D+00  0.954290D+00  0.153973D+00 -0.136360D+01 -0.212107D+01
      3   0.130115D+00  0.492880D+01  0.555403D+01 -0.642269D+00 -0.284305D+00
                71            72            73            74            75 
      1   0.260829D+01  0.446282D+00 -0.835071D+00  0.281401D+00 -0.312831D+01
      2   0.906934D+00 -0.907925D-02 -0.752507D+00 -0.729820D+00  0.245808D+01
      3  -0.751177D+00 -0.440698D+00  0.116768D+02 -0.356994D+00  0.765692D+00
                76            77            78            79            80 
      1   0.129377D+01  0.930722D+00 -0.272556D+01  0.183322D+01  0.107617D+01
      2  -0.148337D+01 -0.917613D+00  0.270864D+01 -0.262064D+01  0.260690D+00
      3   0.208249D+01 -0.179022D+01 -0.219337D+00  0.223562D+01 -0.115659D+00
                81            82            83            84            85 
      1   0.275826D+00  0.718967D+00 -0.647944D+00  0.109264D+01 -0.313926D+00
      2  -0.437557D+00 -0.426268D+00 -0.148160D-01  0.478053D+00  0.365804D+00
      3  -0.623418D+00 -0.484357D+01  0.175878D+01 -0.535346D+00  0.538352D+01
                86            87            88            89            90 
      1   0.258076D+01 -0.554570D+01 -0.112873D+01  0.198154D+01  0.356339D+00
      2  -0.326643D+00 -0.657857D+00 -0.804238D+00 -0.925076D+00  0.270556D+00
      3  -0.346399D+01  0.554371D+00 -0.106033D+01  0.100444D+01  0.986601D+00
                91            92            93            94            95 
      1  -0.147383D+01 -0.412625D+00 -0.920956D+00 -0.235001D+01  0.223549D+01
      2   0.150458D+02 -0.122430D+01 -0.630732D+01 -0.578793D+01 -0.215987D+01
      3   0.605455D+01 -0.713374D+01  0.173647D+01  0.883298D+01 -0.224375D+02
                96            97            98            99           100 
      1  -0.295274D+01 -0.403409D+01  0.308458D+01 -0.322204D+00  0.539147D+01
      2  -0.130663D+00 -0.357673D+02 -0.172896D+01  0.495949D+01  0.900832D+01
      3   0.387418D+01  0.382361D+01  0.334910D+01  0.526046D+01 -0.175299D+02
               101           102           103           104           105 
      1   0.518732D+00 -0.300965D+00 -0.180967D+01 -0.118717D+02 -0.385723D+01
      2  -0.319491D+01  0.218943D+02 -0.229019D+01  0.706960D+00  0.833003D+01
      3  -0.172275D+01 -0.264792D+01  0.390590D+01  0.249600D+02  0.873498D+00
               106           107           108           109           110 
      1   0.165083D+01  0.160336D+01  0.659237D+01  0.700945D+01  0.270377D+01
      2   0.161256D+02  0.675667D+01 -0.125058D+02 -0.155058D+02  0.950032D+00
      3  -0.463240D+01 -0.225245D+00 -0.859223D+01  0.323752D+01  0.147925D+02
               111           112           113           114           115 
      1   0.726648D+01  0.125628D+02 -0.832573D+00 -0.161539D+02  0.646294D+01
      2  -0.142596D+00  0.417055D+01 -0.816232D+00 -0.721286D+01  0.147307D+02
      3  -0.515868D+00  0.189665D+02  0.121071D+02 -0.292041D+01  0.122925D+01
               116           117           118           119           120 
      1  -0.560756D+01 -0.489702D+00 -0.428954D+00  0.485785D+00  0.213128D+00
      2  -0.134800D+01  0.656149D+00  0.144867D+01  0.465915D+00  0.312714D+01
      3  -0.228624D+01 -0.396147D+01  0.703156D+01 -0.154189D+01 -0.183102D+00
               121           122           123           124           125 
      1   0.815091D+00 -0.391044D+01 -0.238858D+01  0.272195D+00  0.872176D+00
      2   0.122453D+01  0.188653D+01 -0.535585D+01  0.199126D+01 -0.274240D+01
      3  -0.640086D+00  0.237250D+02 -0.319380D+01  0.548681D+00 -0.249640D+01
               126           127           128           129           130 
      1   0.508536D+00 -0.310658D+01  0.387561D+01 -0.170375D+00  0.315230D+01
      2   0.170278D+01 -0.107198D+02  0.197386D+01  0.724056D+01  0.183879D+01
      3   0.244437D+01  0.853208D+01 -0.920424D+01  0.151694D+01 -0.642162D+01
               131           132           133           134           135 
      1  -0.612746D+00 -0.397480D+00 -0.103522D+01  0.836862D+00 -0.987839D+00
      2  -0.950554D+00 -0.358674D+01  0.187693D+01 -0.105219D+01  0.361370D+00
      3   0.141267D+01 -0.170594D+01  0.106110D+01 -0.166284D+01  0.212212D+01
               136           137           138           139           140 
      1  -0.158584D+01 -0.264692D+01  0.724312D+00 -0.762499D+00 -0.618535D+00
      2   0.750655D+01  0.187422D+01 -0.147496D+02  0.173515D+01  0.410286D+01
      3   0.200931D+01  0.194689D+01 -0.836433D+00  0.140368D+01  0.356152D+00
               141           142           143           144           145 
      1   0.110734D+01  0.214617D-01  0.438621D+01 -0.277572D+01  0.256849D+01
      2  -0.733022D+01 -0.667073D+01 -0.371759D+01  0.308123D+02 -0.716368D+00
      3  -0.390466D+01  0.559620D+00 -0.344220D+01  0.357444D+01 -0.446757D+01
               146           147           148           149           150 
      1   0.775119D+00  0.430757D+00  0.100241D+01  0.143648D+02 -0.113322D+01
      2  -0.940111D+00 -0.107865D+01 -0.665882D+00  0.231353D+01  0.619719D+01
      3  -0.168039D+01 -0.888530D+00 -0.102501D+00 -0.279201D+02 -0.363437D+01
               151           152           153           154           155 
      1   0.667892D+00  0.792090D+00  0.116291D+01 -0.509292D+01 -0.296046D+01
      2  -0.110303D+01  0.171422D+01  0.143274D+01  0.751739D+01  0.109157D+01
      3  -0.215994D+01  0.529969D+00 -0.256798D+01 -0.137157D+02 -0.231533D+02
               156           157           158           159           160 
      1  -0.264942D+01 -0.867611D+01 -0.246337D+01  0.402522D+00 -0.278449D+00
      2   0.248703D+02 -0.411005D+01  0.157899D+01  0.826429D+01  0.617104D+01
      3   0.172994D+00 -0.175470D+02 -0.146085D+02  0.218176D+01  0.131270D+01
               161           162           163           164           165 
      1   0.339051D+01 -0.859669D+00 -0.769787D+01 -0.153169D+01 -0.248543D+00
      2   0.260971D+01  0.849102D+00  0.119370D+02  0.311340D+01  0.193782D+01
      3   0.194269D+01 -0.326045D+01 -0.103669D+02 -0.418449D+01  0.624455D+00
               166           167           168           169           170 
      1  -0.464933D+01  0.196829D+01  0.442128D+01  0.171867D+01  0.886374D+01
      2   0.450196D+01 -0.662425D+01  0.956017D+00 -0.916973D+01 -0.326503D+01
      3  -0.176474D+01  0.259220D+01  0.769020D+01 -0.799453D+00  0.346278D+01
               171           172           173           174           175 
      1  -0.370196D+01  0.667587D+01  0.156898D+01 -0.249989D+01  0.524379D+01
      2  -0.262350D+02 -0.233231D+02 -0.299171D+01 -0.682407D+01 -0.411133D+01
      3   0.437083D+01  0.104401D+02  0.248041D+01  0.163442D+00  0.613784D+01
               176           177           178           179           180 
      1  -0.695409D+00 -0.232992D+01 -0.301755D+01 -0.464990D+00  0.111678D+01
      2  -0.291414D+01 -0.175188D+01 -0.587567D+00 -0.332797D+00 -0.294572D+01
      3   0.986308D+00  0.159612D+01 -0.361683D+01 -0.399828D+00  0.157596D+01
               181           182           183           184           185 
      1   0.273930D+00 -0.386999D+01 -0.535913D+01 -0.123613D+00  0.105760D+01
      2   0.261151D+01  0.135320D+01  0.928920D+01  0.834549D+00  0.224521D+01
      3   0.170431D+02  0.814600D+01 -0.109544D+01 -0.161103D+02  0.777962D+01
               186           187           188           189           190 
      1  -0.959433D+00 -0.129774D+02  0.661472D+01 -0.259671D+01 -0.214134D+01
      2   0.286416D+01 -0.235112D+01  0.120458D+02  0.999047D-03  0.115235D+02
      3  -0.211633D+01  0.220791D+01 -0.835645D+00  0.414902D+00  0.246361D+02
               191           192           193           194           195 
      1  -0.493604D+01  0.153145D+01 -0.502839D+01 -0.928245D+00  0.298610D+01
      2   0.439188D+01  0.439292D+00  0.647297D+01  0.198287D+01  0.186911D-01
      3   0.240031D+02 -0.691661D+00  0.505457D+02  0.858743D+01  0.300686D+01
               196           197           198           199           200 
      1  -0.800867D+00  0.134518D+02 -0.173154D+01  0.344756D+00  0.466159D+01
      2   0.169045D+01 -0.502876D+01  0.232132D+01 -0.100011D+02 -0.586981D+01
      3  -0.378061D+01  0.290990D+01 -0.128524D+00 -0.256038D+01 -0.440512D+02
               201           202           203           204           205 
      1  -0.511744D+00  0.183410D+01  0.181952D+01 -0.281694D+01  0.570523D+01
      2   0.272143D+01 -0.617266D+01 -0.440232D+01 -0.441585D+01 -0.206315D+02
      3   0.348921D+01 -0.765483D+01 -0.127085D+02  0.184208D+01  0.254585D+01
               206           207           208           209           210 
      1   0.131901D+01  0.934466D+00  0.205143D+01  0.435644D+01 -0.175428D+01
      2  -0.162581D+02  0.177368D+01 -0.380978D+01 -0.384661D+01  0.157145D+02
      3   0.434666D+00  0.837875D+01 -0.147964D+02 -0.444310D+02  0.155146D+01
               211           212           213           214           215 
      1  -0.437128D+00 -0.161356D+01 -0.476310D+01 -0.283905D+01 -0.135683D+01
      2  -0.464660D+00  0.292228D+01  0.527428D+01 -0.559514D+01 -0.154804D+01
      3  -0.371978D+01  0.141901D+02 -0.233623D+01 -0.733614D+00 -0.496361D+01
               216           217           218           219           220 
      1   0.273030D+00  0.278586D+00 -0.173761D+01  0.167836D+01 -0.110188D+01
      2   0.755385D+00  0.743177D-01  0.445168D+01 -0.775743D+01  0.468826D+01
      3   0.312005D+01 -0.269769D+02  0.164103D+02 -0.561574D+01  0.356561D+02
               221           222           223           224           225 
      1  -0.626080D+00  0.346517D+01  0.128259D+02  0.503365D+01 -0.146261D+01
      2  -0.610164D+01 -0.400895D+02 -0.262330D+02 -0.295438D+02  0.762034D+01
      3   0.227645D+02  0.833085D+01 -0.490603D+01  0.596124D+01  0.296583D+02
               226           227           228           229           230 
      1   0.169918D+00 -0.124072D+00  0.100326D+01  0.546151D-01 -0.669948D+00
      2  -0.761336D+00  0.780236D+00  0.103004D+00  0.406940D+00 -0.214752D+01
      3  -0.651834D+01  0.397185D+01 -0.935995D+00  0.427182D+01 -0.207172D+02
               231           232           233           234           235 
      1  -0.493133D+01 -0.123967D+00  0.291092D+01  0.215039D+00 -0.116341D+01
      2   0.128665D+01 -0.255751D+00 -0.250635D+00 -0.750060D-03  0.242358D+01
      3   0.225826D+01 -0.964733D+00  0.295885D+01  0.120139D+00  0.553693D+01
               236           237           238           239           240 
      1  -0.364601D+00 -0.206507D+01  0.572230D-01 -0.144151D+00 -0.256203D+01
      2   0.336463D+00  0.239046D+01 -0.732765D-01  0.132376D+00  0.344396D+01
      3  -0.610850D+01  0.785164D+00 -0.526577D+01 -0.108838D+02  0.779110D-01
               241           242           243           244           245 
      1   0.246462D+01  0.102621D+01  0.257710D+00  0.110771D+00 -0.199296D+00
      2  -0.326043D+01 -0.279592D-02 -0.675972D+00  0.537021D+00 -0.717214D+00
      3   0.169852D+01  0.604397D+00 -0.111453D+01  0.370016D+01 -0.301921D+01
               246           247           248           249           250 
      1   0.104240D+01 -0.346505D+00  0.554868D-01 -0.433859D+01 -0.247965D+00
      2   0.130760D+01 -0.697901D+00  0.266711D+01 -0.362666D+01 -0.194267D+01
      3   0.548733D+00 -0.113843D+01  0.211720D+02 -0.225086D+01  0.614461D+00
               251           252           253           254           255 
      1   0.188583D+01  0.363567D+00 -0.399536D+00  0.236830D+00 -0.831107D-01
      2   0.165937D-01  0.353280D+00 -0.994464D+01 -0.280936D+01  0.333992D+01
      3  -0.241659D+01  0.158784D+00 -0.372741D+01 -0.279382D+01  0.270160D+01
               256           257           258           259           260 
      1   0.155803D+01  0.944426D+00 -0.287710D+01 -0.376524D+01  0.981889D+00
      2  -0.802599D+01 -0.915726D+01  0.163494D+02  0.191691D+02  0.156565D+02
      3  -0.118210D+02 -0.163860D+02  0.945802D+01  0.922390D+01  0.142077D+02
               261           262           263           264           265 
      1   0.443126D+01  0.125740D+01 -0.589180D-01  0.796780D+00 -0.549205D+00
      2  -0.323299D+02  0.613640D+01 -0.473148D-03 -0.328777D+00  0.715403D+01
      3  -0.158315D+02 -0.353359D+01 -0.840743D+00 -0.214728D+00 -0.135011D+02
               266           267           268           269           270 
      1   0.107609D+01 -0.259814D+01 -0.198327D+01  0.193044D+01 -0.271234D+01
      2   0.132364D+02  0.194257D+02  0.144255D+02  0.170858D+02  0.254959D+02
      3  -0.247326D+02 -0.150330D+02 -0.825414D+01 -0.171820D+02 -0.182116D+02
               271           272           273           274           275 
      1  -0.108798D+01  0.820743D+00  0.408761D+00  0.738163D+00 -0.756688D+00
      2   0.395695D+01 -0.125425D+01  0.943788D+01 -0.222013D+01  0.170411D+01
      3   0.229476D+02 -0.136909D+02  0.239968D+01 -0.165511D+02  0.137599D+02
               276           277           278           279 
      1  -0.993339D+00 -0.103371D+01  0.452646D+00  0.820400D-01
      2  -0.388263D+01  0.839470D+01  0.126275D+00  0.207077D+01
      3  -0.253801D+01  0.281600D+01 -0.267137D+01 -0.585034D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.960180D+02 -0.415631D+02 -0.116978D+01  0.963564D+02 -0.982401D+01
      2   0.469916D+02  0.230288D+02  0.760870D+00 -0.441497D+02  0.126831D+02
      3   0.490264D+02  0.185342D+02  0.408913D+00 -0.522067D+02 -0.285909D+01
      4  -0.332329D+02  0.381064D+01 -0.231407D+01 -0.315365D+01  0.952912D+01
      5   0.150232D+01 -0.200263D+01  0.334623D+00 -0.347392D+01 -0.334444D+01
      6   0.865593D+00  0.150932D+01  0.975258D-01 -0.377862D+01 -0.329120D+01
                 6             7             8             9            10 
      1   0.664334D+01 -0.199532D+02 -0.324047D+01 -0.116799D+02  0.760991D+02
      2  -0.472782D+01  0.866130D+01  0.166529D+01 -0.142138D+00 -0.241153D+02
      3  -0.191551D+01  0.112919D+02  0.157518D+01  0.118220D+02 -0.519838D+02
      4  -0.147363D+01 -0.228294D+01 -0.719418D+00  0.153936D-01  0.358619D+01
      5  -0.686381D+00  0.217010D+01  0.166506D+01 -0.152078D+01  0.249188D+01
      6   0.336126D-01 -0.285854D+01  0.433332D+01  0.145253D+00 -0.579292D+01
                11            12            13            14            15 
      1  -0.891773D+01  0.791374D+01 -0.117217D+03 -0.213693D+02 -0.692823D+01
      2   0.702493D+01 -0.225176D+01  0.523323D+02  0.196340D+02  0.122333D+01
      3   0.189280D+01 -0.566197D+01  0.648850D+02  0.173531D+01  0.570490D+01
      4  -0.313385D+01 -0.212151D+00 -0.176175D+02 -0.154190D+02  0.546826D+00
      5  -0.250999D+01 -0.909543D+01  0.519908D+01  0.268558D+01  0.855509D+00
      6  -0.971678D+00  0.358670D-01  0.260428D+01  0.408750D+00 -0.145112D+01
                16            17            18            19            20 
      1   0.200876D+02  0.732708D+00 -0.791989D+01  0.660576D+02  0.442054D+02
      2  -0.780990D+01 -0.107461D+01 -0.130357D+01 -0.267780D+02 -0.268921D+02
      3  -0.122777D+02  0.341905D+00  0.922346D+01 -0.392796D+02 -0.173133D+02
      4   0.248458D+01  0.523967D+00 -0.255438D+01  0.347399D+02 -0.889570D+01
      5  -0.110856D+01 -0.246580D+01 -0.202175D+01 -0.431395D+01  0.164190D+01
      6  -0.248277D+01  0.401648D+01  0.109279D+01 -0.365720D+01 -0.495954D+01
                21            22            23            24            25 
      1   0.384358D+01 -0.140199D+02  0.214906D+02 -0.153278D+01  0.797591D+01
      2  -0.119469D+01  0.217394D+02 -0.267105D+02  0.444139D+01 -0.457559D+01
      3  -0.264889D+01 -0.771952D+01  0.521991D+01 -0.290860D+01 -0.340032D+01
      4   0.241367D+01  0.146140D+02  0.280506D+01 -0.166202D+01  0.373343D+01
      5  -0.611508D+01 -0.117703D+01 -0.275987D+01 -0.753203D+01  0.105777D+02
      6   0.858934D+00 -0.480510D+01  0.463579D+01  0.477931D+01 -0.199724D+01
                26            27            28            29            30 
      1   0.439251D+01 -0.126875D+02  0.575625D+01 -0.339711D+01 -0.463437D+01
      2   0.322720D+01 -0.122852D+01 -0.264961D+02  0.221008D+01  0.611194D+00
      3  -0.761971D+01  0.139160D+02  0.207399D+02  0.118703D+01  0.402318D+01
      4  -0.303876D+01 -0.507329D+01 -0.216304D+02  0.101090D+02 -0.665967D+00
      5  -0.850279D+01  0.175427D-01  0.875989D+01  0.154133D+01  0.929284D+01
      6   0.120774D+02 -0.277083D+01  0.656069D+01  0.249633D+01 -0.234057D+01
                31            32            33            34            35 
      1  -0.473478D+02 -0.584656D+02  0.612694D+01 -0.154689D+00  0.413716D+01
      2   0.375479D+02  0.504692D+02 -0.664852D+01 -0.474345D+01 -0.501013D+01
      3   0.979991D+01  0.799640D+01  0.521584D+00  0.489814D+01  0.872967D+00
      4  -0.289548D+02  0.123761D+01 -0.109409D+01  0.512846D+01 -0.563481D+00
      5   0.627387D+01 -0.845310D+00  0.406925D+01  0.335323D+02  0.351355D+01
      6  -0.385628D+01  0.864314D+00 -0.326512D+01 -0.416764D+01  0.309273D+01
                36            37            38            39            40 
      1  -0.143586D+01 -0.169715D+02 -0.569718D+02  0.231987D+01  0.371988D+02
      2  -0.100321D+02  0.953071D+01  0.427665D+02 -0.157870D+01 -0.389977D+02
      3   0.114680D+02  0.744082D+01  0.142053D+02 -0.741169D+00  0.179888D+01
      4  -0.203944D+01 -0.983752D+01 -0.386951D+01 -0.596494D+00  0.799406D+01
      5  -0.627877D-01  0.183618D+01 -0.312135D+01  0.777705D+01  0.240462D+01
      6   0.190362D+01 -0.312819D+01  0.301725D+01  0.949004D+01  0.815582D+01
                41            42            43            44            45 
      1   0.350151D+02 -0.450225D+01 -0.801341D+01 -0.117641D+02 -0.969531D+01
      2  -0.309370D+02  0.163637D+01  0.687036D+01  0.793512D+01 -0.614599D+00
      3  -0.407803D+01  0.286588D+01  0.114305D+01  0.382899D+01  0.103099D+02
      4  -0.154494D+02  0.358467D+01 -0.201495D+01  0.221586D+01  0.833839D+01
      5   0.503326D+01  0.499843D+01  0.168829D+02  0.554202D+01  0.468040D+00
      6  -0.998288D+00  0.104769D+01  0.180892D+02  0.817160D+01  0.509268D+01
                46            47            48            49            50 
      1   0.254743D+02  0.407928D+02  0.128985D+01 -0.147381D+02  0.151011D+01
      2  -0.211488D+02 -0.311599D+02 -0.412355D+00  0.100335D+02 -0.133704D+02
      3  -0.432549D+01 -0.963284D+01 -0.877493D+00  0.470455D+01  0.118603D+02
      4   0.284763D+01 -0.607093D+01  0.941055D+00  0.692262D+01  0.101447D+02
      5  -0.509945D+01  0.304096D+01 -0.200779D+01 -0.176385D+00 -0.560727D+00
      6   0.371028D+01 -0.547038D+01 -0.662867D+01  0.780834D-01  0.736179D+01
                51            52            53            54            55 
      1  -0.435269D+01  0.570496D+01 -0.133227D+01 -0.223726D+02  0.285210D+02
      2   0.446498D+01 -0.473142D+01  0.419342D+01  0.107174D+02 -0.204228D+02
      3  -0.112287D+00 -0.973545D+00 -0.286114D+01  0.116552D+02 -0.809814D+01
      4  -0.117477D+01  0.138718D+00 -0.379183D+01 -0.174945D+01  0.225298D+02
      5  -0.140617D+00  0.414674D+01  0.120388D+01 -0.209995D+01  0.332016D+01
      6   0.741738D+01 -0.220644D+01  0.226093D+02 -0.172475D+01  0.252664D+01
                56            57            58            59            60 
      1   0.518533D+02 -0.687569D+00  0.879738D+01  0.241617D+02 -0.463704D+01
      2  -0.332834D+02 -0.755394D+00 -0.131829D+01 -0.243778D+02  0.568159D+01
      3  -0.185699D+02  0.144296D+01 -0.747909D+01  0.216104D+00 -0.104455D+01
      4  -0.406734D+02  0.410978D+01  0.293538D+02  0.153855D+02  0.175334D+01
      5   0.535915D+01 -0.134753D+02 -0.296297D+01  0.101205D+01  0.490510D+01
      6  -0.204881D+01 -0.807885D+01 -0.462072D+00  0.626855D+01  0.686324D+01
                61            62            63            64            65 
      1   0.276973D+01 -0.170774D+01 -0.204297D+02 -0.804320D+00  0.300731D+01
      2  -0.169965D+01  0.679470D+01  0.743093D+01  0.378571D+01 -0.422485D+01
      3  -0.107008D+01 -0.508695D+01  0.129988D+02 -0.298139D+01  0.121754D+01
      4  -0.258704D+01 -0.371573D+01  0.145580D+02 -0.522382D+01  0.991542D+01
      5   0.249849D+01  0.169244D+02 -0.756936D+01  0.123703D+01 -0.169896D+01
      6   0.263564D+01  0.211799D+02 -0.436829D+01 -0.185171D+01  0.169678D+01
                66            67            68            69            70 
      1  -0.425113D+00  0.759929D+01 -0.329570D+02  0.508538D+01  0.167100D+00
      2   0.248001D+00 -0.102991D+02  0.395106D+02 -0.372557D+01  0.203323D+00
      3   0.177112D+00  0.269985D+01 -0.655358D+01 -0.135980D+01 -0.370423D+00
      4  -0.137271D+01  0.107416D+02 -0.186596D+02  0.238829D+01 -0.164072D+01
      5   0.146789D+01 -0.193899D+01  0.153376D+01 -0.252428D+01  0.446481D-01
      6  -0.118964D+01  0.296841D+01 -0.972252D+01  0.748519D+01 -0.169430D+01
                71            72            73            74            75 
      1   0.364020D+01 -0.396106D+01  0.107464D+02 -0.136553D+01  0.334193D+00
      2  -0.389007D+01  0.369087D+01 -0.462064D-02  0.851526D+01 -0.653688D+00
      3   0.249871D+00  0.270193D+00 -0.107418D+02 -0.714973D+01  0.319495D+00
      4   0.279139D+01 -0.882341D+00  0.257927D+02  0.195825D+02  0.352102D-01
      5  -0.461199D-01  0.593521D+00  0.281336D+01  0.263115D+00  0.505103D+01
      6   0.364052D+01 -0.208162D+01  0.183314D+01  0.953170D+00  0.283653D+01
                76            77            78            79            80 
      1  -0.300502D+01 -0.926631D+01 -0.144009D+00  0.190696D+01  0.666681D+00
      2   0.125385D+02  0.188783D+02 -0.957255D-01 -0.205611D+01 -0.100768D+01
      3  -0.953351D+01 -0.961200D+01  0.239734D+00  0.149150D+00  0.340998D+00
      4   0.255357D+02  0.257061D+02 -0.278007D+00 -0.125008D+01 -0.139661D+01
      5  -0.702284D-01  0.169953D-01  0.372343D+01  0.278078D+00  0.172762D+01
      6   0.828324D+00  0.149124D+01  0.454705D+01 -0.914524D+00  0.221680D+01
                81            82            83            84            85 
      1   0.387197D+00 -0.444954D+01  0.730971D+01 -0.127573D+01  0.314548D+01
      2   0.486449D+00  0.660824D+01 -0.978856D+01  0.117042D+01 -0.358446D+01
      3  -0.873646D+00 -0.215870D+01  0.247886D+01  0.105310D+00  0.438979D+00
      4   0.208345D+01 -0.282175D+01  0.113704D+02 -0.953403D+00  0.693318D+01
      5  -0.516674D+00 -0.385060D+00 -0.864754D-01  0.177068D+01 -0.205697D+00
      6  -0.568029D+00 -0.486848D+00  0.121505D+01 -0.149557D+01  0.574335D-01
                86            87            88            89            90 
      1  -0.540173D+02  0.520345D+01 -0.120363D+01  0.668599D+01 -0.293037D+01
      2   0.712165D+02 -0.569034D+01  0.118675D+01 -0.799994D+01  0.311507D+01
      3  -0.171992D+02  0.486897D+00  0.168848D-01  0.131395D+01 -0.184697D+00
      4  -0.889956D+01  0.524573D+00 -0.827161D+00  0.144691D+01 -0.146863D+01
      5  -0.182758D+01 -0.428258D+00  0.792348D+00 -0.108914D+01  0.348688D+00
      6  -0.439654D+01  0.863821D+01  0.467364D+00  0.358916D+01 -0.179022D+01
                91            92            93            94            95 
      1  -0.157048D+02 -0.425276D+01  0.109969D+02 -0.445390D+01  0.143467D+02
      2   0.231804D+02  0.499512D+01  0.947276D+00  0.864273D+01 -0.199274D+02
      3  -0.747558D+01 -0.742364D+00 -0.119441D+02 -0.418883D+01  0.558071D+01
      4   0.401584D+00  0.218805D+01 -0.442713D+01 -0.287244D+01  0.385580D+02
      5  -0.812861D+00 -0.557611D+01 -0.205240D+02 -0.219034D+02 -0.333962D+01
      6  -0.584023D+01 -0.255131D+01 -0.880786D+00  0.609208D+00  0.925852D+01
                96            97            98            99           100 
      1  -0.129211D+02  0.511312D+01 -0.542146D+01 -0.236458D+02 -0.604905D+02
      2   0.145195D+02  0.333956D+01  0.472550D+01  0.162251D+02  0.338002D+02
      3  -0.159846D+01 -0.845267D+01  0.695963D+00  0.742067D+01  0.266903D+02
      4  -0.316642D+01 -0.101343D+02 -0.435716D+01 -0.261663D+01  0.266031D+02
      5  -0.267114D+01 -0.586792D+02 -0.500113D+01 -0.252289D+01 -0.360706D+02
      6  -0.122376D+01 -0.320296D+00 -0.627869D+00 -0.416016D+01  0.130985D+02
               101           102           103           104           105 
      1   0.190057D+02 -0.335366D+02  0.347689D+02  0.472078D+00 -0.678302D+00
      2  -0.991217D+01  0.277322D+01 -0.260840D+02 -0.683807D+01 -0.103260D+02
      3  -0.909352D+01  0.307634D+02 -0.868493D+01  0.636599D+01  0.110043D+02
      4  -0.122018D+01  0.358476D+01 -0.526572D+01 -0.408654D+02 -0.235509D+01
      5   0.820696D+01  0.177208D+02  0.226688D+02 -0.117484D+01  0.166471D+02
      6  -0.815442D-01  0.518247D+00 -0.860386D-01 -0.175855D+02 -0.147890D-01
               106           107           108           109           110 
      1  -0.736999D+01 -0.329213D+01  0.371240D+02 -0.105421D+03 -0.142305D+02
      2  -0.124822D+02 -0.445432D+01 -0.105322D+02  0.476415D+02  0.230550D+01
      3   0.198522D+02  0.774645D+01 -0.265918D+02  0.577793D+02  0.119250D+02
      4   0.536965D+01  0.148360D+01  0.139511D+02 -0.223774D+02 -0.176321D+02
      5   0.403413D+02  0.133208D+02  0.109220D+02  0.224166D+02  0.857621D+01
      6   0.411124D+01  0.161245D+01  0.113685D+02  0.702553D+01  0.112080D+01
               111           112           113           114           115 
      1   0.126104D+02 -0.285811D+02 -0.990868D+01  0.799147D+01 -0.287624D+02
      2  -0.627358D+01  0.844299D+01  0.108047D+02 -0.403336D+01  0.224936D+02
      3  -0.633687D+01  0.201381D+02 -0.896051D+00 -0.395811D+01  0.626875D+01
      4   0.606314D+01  0.327726D+01 -0.170116D+02  0.957928D+00  0.628840D+01
      5  -0.975535D+01  0.156875D+02  0.238839D+01 -0.488893D+01  0.315249D+02
      6  -0.346360D+01  0.244946D+01  0.918527D+00  0.123302D+01  0.991969D+00
               116           117           118           119           120 
      1   0.655521D+01  0.310019D+02 -0.687470D+01 -0.627127D+01 -0.492830D+00
      2  -0.289870D+01 -0.856255D+01  0.852774D+01  0.250017D+01  0.313775D+00
      3  -0.365651D+01 -0.224394D+02 -0.165304D+01  0.377109D+01  0.179055D+00
      4  -0.865623D+00  0.327030D+01 -0.854645D+01  0.735030D+01 -0.578168D+00
      5   0.394921D+01 -0.765726D+01  0.399111D+00 -0.103752D+01  0.721454D+01
      6  -0.546869D+01 -0.455548D+01 -0.234245D+01  0.801453D+00 -0.267521D+00
               121           122           123           124           125 
      1  -0.986255D+01 -0.181034D+02  0.555107D+01 -0.218254D+01  0.207472D+01
      2   0.952697D+00  0.303179D+02 -0.437415D+01  0.166021D+01 -0.680957D+00
      3   0.890985D+01 -0.122145D+02 -0.117692D+01  0.522327D+00 -0.139376D+01
      4   0.164290D+02 -0.460792D+02  0.590853D+01 -0.427443D+00  0.460073D+01
      5  -0.171893D+01  0.558707D+01 -0.122078D+02  0.949347D+01 -0.579323D+01
      6   0.214303D+01 -0.105978D+02  0.667162D+01 -0.198725D+01  0.669384D+01
               126           127           128           129           130 
      1  -0.560584D+00  0.105272D+03 -0.133919D+02  0.205577D+02 -0.253266D+02
      2   0.282645D+00 -0.637237D+02  0.686205D+01 -0.179876D+02  0.147278D+02
      3   0.277938D+00 -0.415486D+02  0.652989D+01 -0.257016D+01  0.105988D+02
      4  -0.615278D+01 -0.202396D+02  0.163059D+02 -0.407446D+01  0.201618D+02
      5   0.482530D+01  0.613924D+02 -0.666653D+01  0.301106D+02 -0.178155D+02
      6  -0.225295D+01 -0.800570D+01  0.657006D+01 -0.204660D+01  0.731502D+01
               131           132           133           134           135 
      1   0.107113D+02 -0.374536D+01  0.989272D+01 -0.457467D+00  0.595679D+01
      2  -0.393031D+01  0.535809D+01 -0.895527D+01  0.161438D+01 -0.737471D+01
      3  -0.678100D+01 -0.161273D+01 -0.937455D+00 -0.115692D+01  0.141792D+01
      4  -0.540322D+01  0.505008D+01 -0.226122D+01  0.189156D+01 -0.437607D+01
      5   0.702344D+01 -0.110747D+02  0.171588D+02 -0.448792D+01  0.900741D+01
      6  -0.190252D+01  0.332344D+01 -0.237923D+01  0.156327D+01 -0.198779D+01
               136           137           138           139           140 
      1  -0.604772D+01 -0.461618D+01  0.234777D+02 -0.685267D+01 -0.672840D+01
      2  -0.403345D+00  0.130132D+01  0.258538D+01  0.454772D+01  0.143874D+01
      3   0.645106D+01  0.331485D+01 -0.260631D+02  0.230494D+01  0.528966D+01
      4  -0.329365D+01 -0.340505D+01  0.145000D+01  0.204255D+01 -0.522234D+00
      5   0.507909D+00 -0.712997D+00 -0.134141D+02 -0.501100D+01  0.533589D+01
      6  -0.228177D+01 -0.395697D+01  0.251198D+01  0.188372D+00 -0.273853D+01
               141           142           143           144           145 
      1   0.791610D+01  0.109780D+02  0.418772D+01 -0.405042D+02  0.912711D+01
      2   0.288179D+01 -0.403954D+01  0.149733D+01 -0.146336D+02 -0.269356D+01
      3  -0.107979D+02 -0.693844D+01 -0.568504D+01  0.551378D+02 -0.643355D+01
      4   0.711703D+01 -0.280698D+00  0.707733D+01 -0.729143D+01  0.591435D+01
      5  -0.115622D+02  0.642850D+01 -0.496390D+01  0.408749D+02  0.470500D+01
      6   0.886579D+01 -0.384367D+00  0.771907D+01 -0.720083D+01  0.166641D+01
               146           147           148           149           150 
      1   0.509279D+01  0.455449D+01  0.136323D+02 -0.450287D+01 -0.150952D+01
      2  -0.179739D+01 -0.644358D+00 -0.703789D+01  0.140009D+02 -0.322765D+01
      3  -0.329541D+01 -0.391014D+01 -0.659439D+01 -0.949799D+01  0.473718D+01
      4   0.731623D+01  0.726095D+00  0.158551D+02  0.514187D+02  0.956175D+01
      5   0.213563D+01 -0.288153D+00  0.131650D+02  0.981036D+01  0.151536D+02
      6   0.198251D+01  0.138365D+00  0.598747D+01  0.244869D+02  0.856249D+01
               151           152           153           154           155 
      1  -0.986145D+00 -0.133078D+01 -0.547157D+01  0.206930D+03  0.220724D+02
      2   0.143447D+01 -0.902130D+00  0.133995D+01 -0.997200D+02 -0.824448D+01
      3  -0.448321D+00  0.223291D+01  0.413161D+01 -0.107210D+03 -0.138279D+02
      4   0.293560D+00  0.631831D+00  0.395634D+01  0.228346D+02  0.356613D+02
      5  -0.508976D+00  0.410080D+01  0.722792D+00 -0.402452D+02 -0.503247D+01
      6   0.849882D+00  0.468135D+01  0.172342D+01 -0.526580D+01 -0.480408D+01
               156           157           158           159           160 
      1  -0.114699D+02  0.327675D+02  0.342680D+02 -0.270827D+01 -0.116160D+02
      2   0.107273D+02 -0.140953D+02 -0.130031D+02  0.259310D+01  0.102538D+02
      3   0.742560D+00 -0.186722D+02 -0.212649D+02  0.115172D+00  0.136213D+01
      4  -0.209538D+01  0.489850D+02  0.258841D+02 -0.433758D+01 -0.364733D+01
      5   0.424751D+02 -0.971117D+01 -0.892829D+01  0.111577D+02  0.358407D+02
      6  -0.683929D-01 -0.985513D+01 -0.489575D+01  0.541991D+01  0.229987D+01
               161           162           163           164           165 
      1  -0.222992D+01  0.189776D+02  0.587541D+02  0.462136D+01 -0.174110D+02
      2   0.163217D+01 -0.142365D+02 -0.416371D+02 -0.155912D+01  0.108359D+02
      3   0.597746D+00 -0.474115D+01 -0.171170D+02 -0.306224D+01  0.657510D+01
      4  -0.187539D+01  0.467428D+01 -0.148945D+01  0.815818D+01  0.413951D+01
      5   0.649186D+01 -0.705687D+01 -0.384412D+02  0.195129D+01  0.206364D+02
      6   0.445475D+01 -0.157437D+01  0.100581D+01 -0.146015D+01 -0.115707D+01
               166           167           168           169           170 
      1   0.157458D+02 -0.913128D+01 -0.372703D+01  0.726901D+01 -0.329530D+01
      2  -0.837803D+01  0.342744D+01  0.254113D+01 -0.185652D+01  0.746496D+00
      3  -0.736776D+01  0.570384D+01  0.118590D+01 -0.541249D+01  0.254881D+01
      4   0.389005D+01 -0.525995D+01 -0.126828D+02  0.584902D+01 -0.732233D+01
      5  -0.496369D+01 -0.119763D+02 -0.214814D+00  0.132936D+02 -0.791525D+01
      6  -0.137072D+01  0.480345D+01  0.124490D+02 -0.412236D+01  0.131499D+02
               171           172           173           174           175 
      1  -0.385758D+02 -0.542106D+02 -0.629418D+01 -0.698486D+01 -0.994687D+01
      2  -0.100374D+02  0.349473D+02  0.301744D+01 -0.524750D+01  0.603309D+01
      3   0.486133D+02  0.192633D+02  0.327675D+01  0.122324D+02  0.391378D+01
      4  -0.949896D+01  0.238748D+01 -0.550084D+01 -0.353822D+01  0.105241D+01
      5  -0.447229D+02  0.293394D+02 -0.198179D+01 -0.178187D+02  0.325396D+01
      6   0.107325D+02 -0.318628D+00  0.468999D+01  0.443844D+01  0.188668D+00
               176           177           178           179           180 
      1  -0.655532D+01 -0.249114D+01  0.120459D+02 -0.831748D+00 -0.102624D+02
      2   0.431928D+01  0.773829D+00 -0.138718D+02  0.350934D+00  0.540059D+01
      3   0.223604D+01  0.171731D+01  0.182591D+01  0.480814D+00  0.486179D+01
      4  -0.273788D+01 -0.385179D+01 -0.234534D+01  0.823404D+00  0.930460D+00
      5  -0.288183D+01 -0.258402D+01 -0.136050D+02  0.647698D+00  0.377267D+01
      6   0.275461D+01  0.409948D+01  0.357375D+01  0.967210D+00  0.161198D+00
               181           182           183           184           185 
      1  -0.384926D+01 -0.496509D+02  0.286393D+01  0.929281D+02  0.202673D+02
      2   0.366145D+01  0.352568D+02  0.144921D+00 -0.639391D+02 -0.185510D+02
      3   0.187808D+00  0.143940D+02 -0.300885D+01 -0.289890D+02 -0.171629D+01
      4  -0.124095D+02  0.459906D+02 -0.659580D+01  0.112149D+02 -0.348400D+02
      5  -0.585298D+01 -0.869737D+01  0.199883D+02  0.612060D+01  0.684248D+01
      6  -0.388530D+01 -0.254975D+01  0.112724D+02  0.600752D+01  0.252961D+01
               186           187           188           189           190 
      1   0.366777D+01 -0.143659D+02 -0.810621D+01  0.352614D+01  0.123973D+03
      2  -0.255466D+01  0.126668D+02  0.672910D+01 -0.883497D+01 -0.630473D+02
      3  -0.111311D+01  0.169908D+01  0.137711D+01  0.530884D+01 -0.609259D+02
      4   0.764698D+01 -0.173007D+01  0.109009D+02  0.179375D+02  0.260813D+01
      5   0.772215D+01  0.316880D+02  0.170856D+02 -0.268352D+01 -0.311270D+01
      6   0.263485D+01  0.157353D+02  0.883635D+01  0.288870D+01 -0.146705D+01
               191           192           193           194           195 
      1   0.214310D+02  0.461764D+01 -0.366921D+02 -0.160339D+02  0.166778D+01
      2  -0.106992D+02 -0.123479D+01  0.349171D+02  0.239621D+02 -0.368395D+01
      3  -0.107318D+02 -0.338284D+01  0.177502D+01 -0.792827D+01  0.201617D+01
      4   0.287723D+02 -0.209232D+01 -0.106076D+02  0.546254D+02 -0.719092D+01
      5  -0.180673D+01  0.212333D+01  0.493553D+01 -0.611343D+01  0.363854D-01
      6  -0.263701D+01 -0.373623D+01 -0.633457D+01 -0.379795D+01 -0.404937D+01
               196           197           198           199           200 
      1   0.549449D+01  0.591079D+01  0.256207D+02 -0.123775D+03 -0.733217D+01
      2  -0.532928D+01 -0.500970D+01 -0.225752D+02  0.498617D+02  0.177827D+00
      3  -0.165208D+00 -0.901094D+00 -0.304548D+01  0.739132D+02  0.715435D+01
      4   0.744555D+01 -0.381149D+01 -0.161148D+01 -0.949651D+01 -0.295013D+02
      5   0.527807D+02  0.258553D+01  0.393731D+01 -0.284523D+01  0.682205D+01
      6  -0.115131D+01  0.433793D+01  0.145168D+01  0.665995D+01  0.186445D-01
               201           202           203           204           205 
      1  -0.624403D+01 -0.783074D+02 -0.544866D+01 -0.644916D+01 -0.275868D+00
      2   0.295314D+01  0.486212D+02 -0.111231D+02  0.583837D+01 -0.212173D+01
      3   0.329089D+01  0.296863D+02  0.165718D+02  0.610783D+00  0.239759D+01
      4   0.512890D+01 -0.105605D+01 -0.158170D+02 -0.236307D+01  0.182405D+01
      5   0.328468D+01 -0.210072D+01 -0.310233D+01 -0.969654D+01  0.180718D+01
      6   0.420243D+00 -0.148612D+01  0.631146D+01  0.530527D+01 -0.242497D+01
               206           207           208           209           210 
      1   0.340143D+00 -0.221405D+02  0.144322D+02 -0.257923D+02 -0.553918D+00
      2   0.399955D+01  0.389374D+01 -0.101633D+02  0.131550D+02 -0.146222D+01
      3  -0.433969D+01  0.182468D+02 -0.426896D+01  0.126373D+02  0.201614D+01
      4  -0.756245D+01 -0.228966D+02 -0.206007D+02  0.119746D+02  0.436427D+00
      5  -0.250024D+02  0.337157D+01  0.346811D+01  0.860646D+00  0.308400D+02
      6   0.165480D+02 -0.984898D+00  0.515956D+00  0.241454D+01  0.397821D+01
               211           212           213           214           215 
      1   0.163315D+02  0.170400D+02 -0.182143D+01 -0.235534D+01 -0.309692D+01
      2  -0.144858D+02 -0.553804D+01  0.174242D+01 -0.359742D-01  0.253216D+01
      3  -0.184576D+01 -0.115019D+02  0.790043D-01  0.239131D+01  0.564759D+00
      4   0.459636D+02 -0.182725D+02  0.498722D+01 -0.467801D+01  0.129316D+01
      5  -0.491693D+01  0.300718D+01  0.856092D+01  0.111564D+02 -0.547713D+01
      6   0.229809D+01 -0.316971D+00  0.817834D+01 -0.369014D+01  0.479416D+01
               216           217           218           219           220 
      1   0.180576D+01 -0.429377D+02  0.512801D+02 -0.539908D+01  0.330998D+02
      2  -0.197634D+00  0.251263D+02 -0.264255D+02  0.322556D+01 -0.122777D+02
      3  -0.160813D+01  0.178114D+02 -0.248547D+02  0.217352D+01 -0.208222D+02
      4  -0.666501D+01  0.491946D+02 -0.809054D+01  0.769252D+01 -0.476441D+02
      5   0.386012D+01 -0.603227D+01  0.808886D+01 -0.203613D+02  0.114569D+02
      6  -0.177368D+01  0.299824D+01 -0.236969D+00 -0.308973D+01 -0.369976D+01
               221           222           223           224           225 
      1  -0.198214D+02  0.148822D+02 -0.559350D+00  0.128964D+02 -0.152583D+02
      2   0.114741D+02 -0.634200D+01 -0.122312D+01 -0.623083D+01  0.879390D+01
      3   0.834735D+01 -0.854021D+01  0.178247D+01 -0.666558D+01  0.646439D+01
      4  -0.225293D+02 -0.143506D+02  0.106924D+02 -0.912816D+01 -0.516544D+02
      5  -0.132199D+02 -0.777090D+02 -0.414178D+02 -0.531273D+02  0.152601D+02
      6  -0.407793D+01 -0.142941D+02 -0.133761D+02 -0.106141D+02 -0.143004D+01
               226           227           228           229           230 
      1  -0.410373D+01  0.131444D+02 -0.197248D+01  0.253423D+01 -0.520584D+02
      2   0.552784D+01 -0.119087D+02  0.134962D+01 -0.871593D+00  0.656366D+02
      3  -0.142411D+01 -0.123573D+01  0.622859D+00 -0.166263D+01 -0.135782D+02
      4   0.275156D+01  0.499095D+01 -0.298520D-01  0.471436D+01  0.269861D+02
      5  -0.584481D+00  0.186172D+00  0.109427D+01 -0.411191D+00 -0.528226D+01
      6  -0.101919D+01  0.198403D+01 -0.149594D+01 -0.309244D+00 -0.987745D+01
               231           232           233           234           235 
      1   0.579749D+01 -0.760394D+00  0.661772D+01 -0.272919D+01  0.490006D+02
      2  -0.535506D+01  0.430091D+00 -0.718941D+01  0.283437D+01 -0.186310D+02
      3  -0.442432D+00  0.330303D+00  0.571694D+00 -0.105175D+00 -0.303695D+02
      4  -0.316326D+01  0.508857D-02 -0.291834D+01 -0.819164D+00  0.367310D+02
      5   0.343110D+01  0.170348D+01 -0.908504D-01 -0.917455D-01 -0.584448D+00
      6   0.871070D+01 -0.103629D+00  0.384392D+01 -0.178155D+01  0.213036D+00
               236           237           238           239           240 
      1   0.150257D+02  0.172955D+01  0.225275D+02  0.105228D+02 -0.287335D+00
      2  -0.937010D+00 -0.866335D+00 -0.520132D+00  0.788882D+01  0.302795D+00
      3  -0.140887D+02 -0.863219D+00 -0.220074D+02 -0.184116D+02 -0.154604D-01
      4   0.276816D+02 -0.368750D-01  0.401729D+02  0.389219D+02 -0.740492D+00
      5  -0.143847D+01  0.438144D+01 -0.327884D+01 -0.266948D+01  0.577814D+01
      6  -0.203619D+00  0.227759D+01 -0.133016D+01 -0.897743D+00  0.419167D+01
               241           242           243           244           245 
      1   0.193859D+01 -0.165517D+00 -0.111368D+01 -0.298327D+01 -0.501645D+01
      2  -0.194586D+01 -0.509056D+00  0.980959D+00  0.595417D+01 -0.190170D+01
      3   0.727208D-02  0.674573D+00  0.132722D+00 -0.297089D+01  0.691815D+01
      4  -0.152529D+01 -0.169509D+01  0.159025D+01 -0.155807D+02  0.178983D+02
      5  -0.187739D+01  0.107991D+01 -0.624221D+00  0.113264D+01 -0.179635D+01
      6  -0.968592D+00  0.123725D+01 -0.499008D+00 -0.965816D+00  0.133649D+01
               246           247           248           249           250 
      1   0.488696D-01 -0.204178D+01 -0.218406D+02  0.259415D+01 -0.247704D+00
      2   0.245038D+00 -0.845190D+01  0.380418D+02 -0.308408D+01  0.810283D+00
      3  -0.293907D+00  0.104937D+02 -0.162012D+02  0.489936D+00 -0.562579D+00
      4  -0.254802D+01  0.250403D+02 -0.535334D+02  0.607584D+01 -0.346627D+01
      5   0.291553D+01 -0.206450D+01  0.358529D+01 -0.647673D+01  0.225758D+01
      6  -0.161842D+01  0.182980D+01 -0.527237D+01  0.749517D+01 -0.245371D+01
               251           252           253           254           255 
      1   0.176408D+01 -0.163047D+01  0.196416D+02  0.463156D+01 -0.158513D+02
      2  -0.339839D+01  0.275231D+01 -0.105022D+02 -0.195256D+01  0.775724D+01
      3   0.163431D+01 -0.112184D+01 -0.913941D+01 -0.267900D+01  0.809406D+01
      4   0.682594D+01 -0.195681D+01  0.579079D+01  0.505542D+01 -0.724483D+01
      5  -0.690817D+00  0.114996D+01 -0.191035D+02 -0.699288D+01  0.867074D+01
      6   0.318209D+01 -0.179115D+01 -0.264366D+01 -0.910595D+00  0.273098D+00
               256           257           258           259           260 
      1   0.248397D+02  0.122133D+02 -0.112834D+02 -0.570711D+02 -0.113412D+02
      2  -0.126573D+02 -0.400714D+01  0.483628D+01  0.330284D+02  0.553141D+01
      3  -0.121825D+02 -0.820620D+01  0.644715D+01  0.240427D+02  0.580978D+01
      4   0.281984D+02  0.248070D+02 -0.175434D+02 -0.226777D+02 -0.220216D+02
      5  -0.207134D+02 -0.183305D+02  0.324322D+02  0.496670D+02  0.289761D+02
      6  -0.403255D+01 -0.447733D+01  0.779447D+01  0.832223D+01  0.748153D+01
               261           262           263           264           265 
      1   0.200734D+02  0.499938D+01  0.481326D+01  0.126869D+02  0.273108D+02
      2  -0.173661D+02 -0.308497D+01 -0.222584D+01 -0.573264D+01 -0.143546D+02
      3  -0.270722D+01 -0.191442D+01 -0.258741D+01 -0.695427D+01 -0.129563D+02
      4   0.275144D+02  0.427376D+01  0.306154D+01  0.322609D+01  0.326392D+02
      5  -0.631779D+02  0.124098D+02  0.293488D+01  0.210553D+01  0.219673D+02
      6  -0.806375D+01  0.206003D+01  0.550981D-01 -0.612436D+00  0.776676D+01
               266           267           268           269           270 
      1   0.935731D+01  0.600391D+01  0.381784D+02  0.415702D+01  0.104342D+02
      2  -0.171372D+01 -0.392810D+01 -0.226088D+02 -0.314041D+01 -0.138116D+02
      3  -0.764359D+01 -0.207580D+01 -0.155695D+02 -0.101661D+01  0.337734D+01
      4   0.386602D+02  0.280795D+02  0.200476D+02  0.276766D+02  0.319475D+02
      5   0.275558D+02  0.389333D+02  0.405650D+02  0.323246D+02  0.496186D+02
      6   0.102940D+02  0.113107D+02  0.968188D+01  0.106351D+02  0.116535D+02
               271           272           273           274           275 
      1   0.172517D+03 -0.388845D+02  0.141249D+02 -0.813598D+02  0.293511D+02
      2  -0.889034D+02  0.196264D+02 -0.828417D+01  0.407641D+02 -0.130659D+02
      3  -0.836141D+02  0.192581D+02 -0.584075D+01  0.405957D+02 -0.162852D+02
      4  -0.469527D+02  0.237582D+02 -0.428824D+01  0.399360D+02 -0.281161D+02
      5   0.176485D+02 -0.416742D+01  0.188091D+02 -0.851871D+01  0.493913D+01
      6  -0.178737D+01  0.980885D+00 -0.977470D+00  0.182691D+01 -0.125804D+01
               276           277           278           279 
      1  -0.693406D+01  0.184243D+02 -0.466787D+01  0.166242D+02
      2   0.400612D+01 -0.108836D+02  0.269952D+01 -0.993375D+01
      3   0.292794D+01 -0.754071D+01  0.196835D+01 -0.669046D+01
      4   0.514169D+01 -0.552394D+01  0.460025D+01 -0.146054D+01
      5  -0.800701D+01  0.250629D+02 -0.123096D+01  0.547433D+01
      6   0.244990D+01 -0.182091D+01  0.300325D+01 -0.571389D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Aug 17 00:23:38 2021, MaxMem=  5637144576 cpu:           77117.7 elap:            9677.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.93787 -18.93370 -18.87659 -10.13441 -10.08589
 Alpha  occ. eigenvalues --  -10.07048 -10.04228 -10.03935 -10.03791 -10.03381
 Alpha  occ. eigenvalues --  -10.03200 -10.03046 -10.03013 -10.02718 -10.02658
 Alpha  occ. eigenvalues --  -10.01823 -10.00522  -1.14977  -1.13227  -1.07029
 Alpha  occ. eigenvalues --   -0.95582  -0.91390  -0.86963  -0.85476  -0.81574
 Alpha  occ. eigenvalues --   -0.81328  -0.76996  -0.73013  -0.71417  -0.68931
 Alpha  occ. eigenvalues --   -0.68499  -0.66913  -0.62242  -0.61056  -0.60399
 Alpha  occ. eigenvalues --   -0.57421  -0.55659  -0.55336  -0.55185  -0.53039
 Alpha  occ. eigenvalues --   -0.52541  -0.51841  -0.50214  -0.49929  -0.49605
 Alpha  occ. eigenvalues --   -0.49234  -0.48444  -0.47108  -0.46658  -0.44788
 Alpha  occ. eigenvalues --   -0.43654  -0.43015  -0.42502  -0.41633  -0.40349
 Alpha  occ. eigenvalues --   -0.40155  -0.39312  -0.37829  -0.34326  -0.32578
 Alpha  occ. eigenvalues --   -0.29210
 Alpha virt. eigenvalues --   -0.00653   0.02036   0.02591   0.02746   0.03226
 Alpha virt. eigenvalues --    0.03936   0.04169   0.04703   0.05124   0.05428
 Alpha virt. eigenvalues --    0.05755   0.05997   0.06471   0.06940   0.07434
 Alpha virt. eigenvalues --    0.08018   0.08335   0.09102   0.09649   0.10158
 Alpha virt. eigenvalues --    0.10391   0.10696   0.11465   0.11594   0.12076
 Alpha virt. eigenvalues --    0.12377   0.12566   0.12904   0.13078   0.13210
 Alpha virt. eigenvalues --    0.13533   0.13774   0.14146   0.14235   0.14558
 Alpha virt. eigenvalues --    0.15058   0.15439   0.15591   0.16030   0.16456
 Alpha virt. eigenvalues --    0.16630   0.16957   0.17339   0.17512   0.17935
 Alpha virt. eigenvalues --    0.18082   0.18485   0.18609   0.19184   0.19943
 Alpha virt. eigenvalues --    0.20027   0.20340   0.21126   0.21591   0.21844
 Alpha virt. eigenvalues --    0.22347   0.22795   0.23331   0.23396   0.24005
 Alpha virt. eigenvalues --    0.24101   0.24367   0.25080   0.25255   0.25824
 Alpha virt. eigenvalues --    0.26344   0.26598   0.26707   0.27430   0.27618
 Alpha virt. eigenvalues --    0.27835   0.28160   0.28754   0.28905   0.29038
 Alpha virt. eigenvalues --    0.29315   0.29772   0.29882   0.30102   0.30437
 Alpha virt. eigenvalues --    0.30698   0.31262   0.31481   0.31612   0.32137
 Alpha virt. eigenvalues --    0.32470   0.33154   0.33408   0.33571   0.34106
 Alpha virt. eigenvalues --    0.34251   0.34518   0.35131   0.35265   0.35315
 Alpha virt. eigenvalues --    0.35611   0.36194   0.36552   0.36861   0.37465
 Alpha virt. eigenvalues --    0.37642   0.38214   0.38439   0.38742   0.39228
 Alpha virt. eigenvalues --    0.39773   0.40123   0.40407   0.40911   0.41407
 Alpha virt. eigenvalues --    0.41682   0.42387   0.42596   0.43020   0.43390
 Alpha virt. eigenvalues --    0.44012   0.44402   0.44764   0.45376   0.45709
 Alpha virt. eigenvalues --    0.46134   0.46467   0.46587   0.46884   0.47569
 Alpha virt. eigenvalues --    0.48471   0.48796   0.49442   0.50547   0.50846
 Alpha virt. eigenvalues --    0.51307   0.51475   0.51974   0.52434   0.53261
 Alpha virt. eigenvalues --    0.53440   0.53816   0.54417   0.54710   0.55601
 Alpha virt. eigenvalues --    0.56178   0.56573   0.57362   0.57525   0.57913
 Alpha virt. eigenvalues --    0.58053   0.58200   0.58281   0.59022   0.60125
 Alpha virt. eigenvalues --    0.60593   0.60795   0.61218   0.61315   0.61987
 Alpha virt. eigenvalues --    0.62121   0.62691   0.62870   0.63370   0.63887
 Alpha virt. eigenvalues --    0.64387   0.64651   0.65078   0.65898   0.66112
 Alpha virt. eigenvalues --    0.66706   0.67123   0.67397   0.67777   0.68535
 Alpha virt. eigenvalues --    0.68871   0.69086   0.69554   0.69888   0.70207
 Alpha virt. eigenvalues --    0.70946   0.71300   0.71512   0.72004   0.72315
 Alpha virt. eigenvalues --    0.72639   0.73135   0.73545   0.73766   0.74531
 Alpha virt. eigenvalues --    0.74688   0.75322   0.76068   0.76210   0.76665
 Alpha virt. eigenvalues --    0.77223   0.77719   0.78798   0.79123   0.79481
 Alpha virt. eigenvalues --    0.79715   0.80424   0.80612   0.80834   0.81195
 Alpha virt. eigenvalues --    0.81793   0.82792   0.82974   0.83122   0.83707
 Alpha virt. eigenvalues --    0.84225   0.84770   0.85617   0.86066   0.86154
 Alpha virt. eigenvalues --    0.86455   0.87562   0.88409   0.89181   0.89261
 Alpha virt. eigenvalues --    0.89662   0.90418   0.90828   0.91431   0.91733
 Alpha virt. eigenvalues --    0.93202   0.94035   0.94675   0.95771   0.96456
 Alpha virt. eigenvalues --    0.97547   0.98468   0.98857   0.99898   1.00807
 Alpha virt. eigenvalues --    1.01676   1.02350   1.03711   1.04249   1.05392
 Alpha virt. eigenvalues --    1.05555   1.07378   1.08552   1.09436   1.09880
 Alpha virt. eigenvalues --    1.10933   1.11561   1.12589   1.13359   1.13920
 Alpha virt. eigenvalues --    1.15338   1.16051   1.16364   1.17334   1.18409
 Alpha virt. eigenvalues --    1.18515   1.19608   1.20025   1.21050   1.23272
 Alpha virt. eigenvalues --    1.23789   1.24290   1.25895   1.26895   1.27337
 Alpha virt. eigenvalues --    1.29202   1.29973   1.30648   1.32394   1.32639
 Alpha virt. eigenvalues --    1.33687   1.34124   1.35386   1.36152   1.37765
 Alpha virt. eigenvalues --    1.37925   1.38144   1.39231   1.41380   1.41693
 Alpha virt. eigenvalues --    1.42665   1.43093   1.43311   1.43835   1.44911
 Alpha virt. eigenvalues --    1.46282   1.46629   1.47173   1.48853   1.50126
 Alpha virt. eigenvalues --    1.50837   1.51744   1.52121   1.52844   1.53081
 Alpha virt. eigenvalues --    1.54502   1.55427   1.55715   1.57313   1.57594
 Alpha virt. eigenvalues --    1.57818   1.58626   1.58783   1.59498   1.60475
 Alpha virt. eigenvalues --    1.61940   1.62517   1.62901   1.63559   1.64335
 Alpha virt. eigenvalues --    1.64675   1.65031   1.66649   1.67784   1.68171
 Alpha virt. eigenvalues --    1.68885   1.69068   1.69377   1.70253   1.70813
 Alpha virt. eigenvalues --    1.71990   1.72393   1.73348   1.73741   1.75021
 Alpha virt. eigenvalues --    1.76576   1.76937   1.77695   1.78229   1.79134
 Alpha virt. eigenvalues --    1.79654   1.80278   1.81552   1.82416   1.84001
 Alpha virt. eigenvalues --    1.84582   1.85543   1.86853   1.87832   1.88552
 Alpha virt. eigenvalues --    1.89355   1.90333   1.91659   1.92836   1.93560
 Alpha virt. eigenvalues --    1.94787   1.95302   1.95597   1.96126   1.97611
 Alpha virt. eigenvalues --    1.98445   1.99230   1.99883   2.00248   2.00778
 Alpha virt. eigenvalues --    2.01509   2.02166   2.03038   2.03402   2.04680
 Alpha virt. eigenvalues --    2.05336   2.06260   2.06920   2.07421   2.08262
 Alpha virt. eigenvalues --    2.08510   2.08985   2.10418   2.11962   2.12291
 Alpha virt. eigenvalues --    2.14134   2.14615   2.15041   2.16702   2.17227
 Alpha virt. eigenvalues --    2.18309   2.18634   2.20659   2.21129   2.21720
 Alpha virt. eigenvalues --    2.23170   2.24216   2.26067   2.27093   2.27663
 Alpha virt. eigenvalues --    2.28283   2.30363   2.31230   2.32468   2.33025
 Alpha virt. eigenvalues --    2.34445   2.36838   2.38422   2.39007   2.39249
 Alpha virt. eigenvalues --    2.41247   2.41800   2.42476   2.44103   2.45560
 Alpha virt. eigenvalues --    2.46755   2.49305   2.53114   2.54635   2.55800
 Alpha virt. eigenvalues --    2.58888   2.59192   2.60169   2.62822   2.64170
 Alpha virt. eigenvalues --    2.65376   2.65706   2.68904   2.69579   2.73132
 Alpha virt. eigenvalues --    2.73607   2.76266   2.79056   2.80084   2.80684
 Alpha virt. eigenvalues --    2.82113   2.84320   2.87600   2.89932   2.92380
 Alpha virt. eigenvalues --    2.95961   2.96613   2.98829   2.99873   3.06799
 Alpha virt. eigenvalues --    3.14187   3.20266   3.23803   3.28441   3.36882
 Alpha virt. eigenvalues --    3.39173   3.41847   3.42941   3.43697   3.44420
 Alpha virt. eigenvalues --    3.45700   3.49650   3.50070   3.50361   3.53093
 Alpha virt. eigenvalues --    3.53805   3.56384   3.57941   3.61646   3.69975
 Alpha virt. eigenvalues --    3.78246   3.80078   3.83936   3.86465   3.96841
 Alpha virt. eigenvalues --    4.05168   4.44306   4.67051
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   47.208209 -13.454054 -12.154086   2.772264  -3.121261   4.257135
     2  C  -13.454054  47.214296   2.117745  -0.133833   5.956182 -10.990359
     3  C  -12.154086   2.117745  43.553702 -15.963227  -0.436958  -4.344024
     4  C    2.772264  -0.133833 -15.963227  30.039902  -7.687364   4.856886
     5  C   -3.121261   5.956182  -0.436958  -7.687364  35.361174 -19.928545
     6  C    4.257135 -10.990359  -4.344024   4.856886 -19.928545  40.435130
     7  C   -7.910424  -8.659633  -1.156774  -3.839357  -0.240541  -1.112964
     8  H    1.422011  -0.762627  -4.754204   1.316018   0.315987  -0.083910
     9  H    0.024876  -0.806616   0.138003   0.817411  -4.160555   2.245341
    10  H   -0.700088   1.303414   0.073867  -0.966908   2.844223  -4.875574
    11  C    0.566973  -1.304819   0.454412  -5.566070  -2.667475   1.576603
    12  C    0.139652  -0.059332  -0.217900  -0.136075  -0.453854   0.056160
    13  C   -0.064683  -0.042157  -0.320898   0.123663  -0.552060   0.008679
    14  H   -0.072671   0.003228  -0.389236   1.230647  -0.092099  -0.068346
    15  H    0.019343   0.050993  -0.314542   1.097010  -0.000841  -0.068911
    16  H   -0.021969  -0.017714   0.272223  -0.784180   0.077199   0.029966
    17  H    0.047251  -0.079345   0.049906  -0.314430  -0.247956   0.129599
    18  O    0.010182   0.011370  -0.036643   0.192069   0.071874  -0.005044
    19  O    0.051986   0.005520  -0.064487  -0.029024   0.003584  -0.011492
    20  H   -0.003362  -0.030381   0.007638   0.131037  -0.082873   0.046945
    21  C    2.053739 -10.554942  -2.738557   0.578467  -0.388036  -0.077889
    22  C  -10.062349  -0.490897  -0.103803  -0.377322   0.580639  -1.083691
    23  C   -7.491424  -5.861335  -0.077412  -1.126654   0.942574  -7.308026
    24  O    0.286286  -0.179686   0.001022   0.019145  -0.054647  -0.055028
    25  C   -0.043429   0.021721  -0.026397   0.018271  -0.017871   0.033557
    26  H    2.151694  -0.577889  -0.302925   0.256849  -0.016146  -0.037550
    27  H   -0.529352   0.166821  -0.198199   0.010069   0.014384   0.042500
    28  H   -0.459090   1.682594  -0.119135   0.113154   0.108201   0.591829
    29  H    0.010292  -0.100186   0.000141   0.000038   0.000556   0.004944
    30  H    0.003812  -0.092218  -0.000366   0.000355   0.000682   0.003573
    31  H   -0.015933   0.158522  -0.001254   0.001775  -0.003273  -0.003563
               7          8          9         10         11         12
     1  C   -7.910424   1.422011   0.024876  -0.700088   0.566973   0.139652
     2  C   -8.659633  -0.762627  -0.806616   1.303414  -1.304819  -0.059332
     3  C   -1.156774  -4.754204   0.138003   0.073867   0.454412  -0.217900
     4  C   -3.839357   1.316018   0.817411  -0.966908  -5.566070  -0.136075
     5  C   -0.240541   0.315987  -4.160555   2.844223  -2.667475  -0.453854
     6  C   -1.112964  -0.083910   2.245341  -4.875574   1.576603   0.056160
     7  C   48.243818   0.643572   0.101112  -0.276914  -0.003971   0.042822
     8  H    0.643572   4.073507  -0.057361   0.013890   0.227455   0.045441
     9  H    0.101112  -0.057361   4.164276  -0.413652   0.152185   0.076972
    10  H   -0.276914   0.013890  -0.413652   3.592557  -0.071989   0.013810
    11  C   -0.003971   0.227455   0.152185  -0.071989  14.860785   0.440353
    12  C    0.042822   0.045441   0.076972   0.013810   0.440353   4.748941
    13  C    0.018704  -0.003205   0.097454   0.002068  -1.186698  -0.169284
    14  H    0.009306  -0.215436  -0.007649  -0.001269  -1.463632   0.064163
    15  H   -0.009136   0.004157   0.017254  -0.001222  -0.535073   0.007784
    16  H   -0.015473   0.012326   0.015466  -0.001565   0.566099   0.083942
    17  H    0.023669  -0.001295  -0.073484   0.007118   0.075723   0.442394
    18  O   -0.000733   0.005351  -0.005357   0.000398  -0.337890   0.051763
    19  O    0.005595   0.000800   0.004353  -0.000228   0.288395  -0.011689
    20  H    0.018500  -0.020417   0.008723  -0.003362  -0.160999  -0.002782
    21  C   -7.621635   0.175973  -0.032146   0.118218   0.140155   0.011539
    22  C    1.489534  -0.002200   0.034234   0.197868  -0.001215   0.010525
    23  C  -10.450203   0.001678  -0.239181   1.337081  -0.420898  -0.060949
    24  O   -0.184358   0.000324   0.000279  -0.008385   0.001199  -0.000187
    25  C   -0.050459  -0.001891  -0.000360  -0.000736   0.000621   0.000167
    26  H   -4.091240  -0.275805   0.004380   0.001479   0.020100   0.002703
    27  H    0.805531   0.016598  -0.002581   0.002727  -0.005363  -0.000574
    28  H    0.246327  -0.001400  -0.001589  -0.199092   0.003724  -0.000137
    29  H    0.073357  -0.000784   0.000127  -0.000910   0.000208   0.000022
    30  H    0.070849  -0.000675   0.000125  -0.000974   0.000248   0.000027
    31  H   -0.052761   0.000020  -0.000145   0.001746   0.000022   0.000012
              13         14         15         16         17         18
     1  C   -0.064683  -0.072671   0.019343  -0.021969   0.047251   0.010182
     2  C   -0.042157   0.003228   0.050993  -0.017714  -0.079345   0.011370
     3  C   -0.320898  -0.389236  -0.314542   0.272223   0.049906  -0.036643
     4  C    0.123663   1.230647   1.097010  -0.784180  -0.314430   0.192069
     5  C   -0.552060  -0.092099  -0.000841   0.077199  -0.247956   0.071874
     6  C    0.008679  -0.068346  -0.068911   0.029966   0.129599  -0.005044
     7  C    0.018704   0.009306  -0.009136  -0.015473   0.023669  -0.000733
     8  H   -0.003205  -0.215436   0.004157   0.012326  -0.001295   0.005351
     9  H    0.097454  -0.007649   0.017254   0.015466  -0.073484  -0.005357
    10  H    0.002068  -0.001269  -0.001222  -0.001565   0.007118   0.000398
    11  C   -1.186698  -1.463632  -0.535073   0.566099   0.075723  -0.337890
    12  C   -0.169284   0.064163   0.007784   0.083942   0.442394   0.051763
    13  C    7.648616   0.091494  -0.031034  -0.071888  -0.030674   0.087888
    14  H    0.091494   2.351416  -0.020706  -0.101610   0.113709   0.038468
    15  H   -0.031034  -0.020706   1.844744  -0.403649  -0.406161   0.010415
    16  H   -0.071888  -0.101610  -0.403649   1.824818  -0.280408   0.016944
    17  H   -0.030674   0.113709  -0.406161  -0.280408   1.686833   0.031674
    18  O    0.087888   0.038468   0.010415   0.016944   0.031674   8.435439
    19  O   -0.403632  -0.000114  -0.004249   0.006185   0.011539  -0.086098
    20  H    0.022455   0.024033  -0.000119  -0.001528  -0.001052   0.011261
    21  C   -0.006345   0.023525  -0.002039   0.000583   0.004383   0.000426
    22  C    0.008036  -0.000090   0.001248   0.000830  -0.002372  -0.000137
    23  C   -0.048195  -0.026125   0.003067  -0.001585  -0.027094   0.000701
    24  O   -0.000117  -0.000016  -0.000016   0.000023  -0.000003  -0.000000
    25  C    0.000010   0.000031  -0.000002   0.000051   0.000054   0.000001
    26  H    0.005771   0.016728   0.000474  -0.001961   0.000005  -0.000185
    27  H   -0.001235  -0.000046  -0.000043   0.000031   0.000039   0.000040
    28  H   -0.000379   0.000759   0.000239  -0.000312  -0.000501   0.000065
    29  H    0.000041   0.000012   0.000004  -0.000003  -0.000006  -0.000001
    30  H    0.000034   0.000004   0.000003   0.000002  -0.000005  -0.000001
    31  H   -0.000002   0.000006  -0.000001   0.000005   0.000010   0.000000
              19         20         21         22         23         24
     1  C    0.051986  -0.003362   2.053739 -10.062349  -7.491424   0.286286
     2  C    0.005520  -0.030381 -10.554942  -0.490897  -5.861335  -0.179686
     3  C   -0.064487   0.007638  -2.738557  -0.103803  -0.077412   0.001022
     4  C   -0.029024   0.131037   0.578467  -0.377322  -1.126654   0.019145
     5  C    0.003584  -0.082873  -0.388036   0.580639   0.942574  -0.054647
     6  C   -0.011492   0.046945  -0.077889  -1.083691  -7.308026  -0.055028
     7  C    0.005595   0.018500  -7.621635   1.489534 -10.450203  -0.184358
     8  H    0.000800  -0.020417   0.175973  -0.002200   0.001678   0.000324
     9  H    0.004353   0.008723  -0.032146   0.034234  -0.239181   0.000279
    10  H   -0.000228  -0.003362   0.118218   0.197868   1.337081  -0.008385
    11  C    0.288395  -0.160999   0.140155  -0.001215  -0.420898   0.001199
    12  C   -0.011689  -0.002782   0.011539   0.010525  -0.060949  -0.000187
    13  C   -0.403632   0.022455  -0.006345   0.008036  -0.048195  -0.000117
    14  H   -0.000114   0.024033   0.023525  -0.000090  -0.026125  -0.000016
    15  H   -0.004249  -0.000119  -0.002039   0.001248   0.003067  -0.000016
    16  H    0.006185  -0.001528   0.000583   0.000830  -0.001585   0.000023
    17  H    0.011539  -0.001052   0.004383  -0.002372  -0.027094  -0.000003
    18  O   -0.086098   0.011261   0.000426  -0.000137   0.000701  -0.000000
    19  O    8.460666   0.194341  -0.000031   0.002664  -0.011234  -0.000019
    20  H    0.194341   0.678706  -0.003583   0.003577  -0.010964  -0.000026
    21  C   -0.000031  -0.003583  27.463629  -4.058743   0.917601   1.052259
    22  C    0.002664   0.003577  -4.058743  23.543455  -3.749573  -1.400922
    23  C   -0.011234  -0.010964   0.917601  -3.749573  43.111622   0.179517
    24  O   -0.000019  -0.000026   1.052259  -1.400922   0.179517   9.301274
    25  C    0.000019   0.000083  -0.037045   0.086625  -0.135451   0.129155
    26  H    0.000391  -0.000021   2.000035  -0.489363   0.152438   0.005249
    27  H   -0.000043  -0.000234  -2.910499   1.131996   0.119167  -0.178833
    28  H    0.000213   0.000315  -0.351936   0.783971  -3.553584  -0.136727
    29  H    0.000001   0.000006   0.117287  -0.380897   0.170421   0.156931
    30  H    0.000003   0.000010   0.106938  -0.363569   0.167160   0.152404
    31  H    0.000002   0.000009  -0.264355   0.839275  -0.373207  -0.548037
              25         26         27         28         29         30
     1  C   -0.043429   2.151694  -0.529352  -0.459090   0.010292   0.003812
     2  C    0.021721  -0.577889   0.166821   1.682594  -0.100186  -0.092218
     3  C   -0.026397  -0.302925  -0.198199  -0.119135   0.000141  -0.000366
     4  C    0.018271   0.256849   0.010069   0.113154   0.000038   0.000355
     5  C   -0.017871  -0.016146   0.014384   0.108201   0.000556   0.000682
     6  C    0.033557  -0.037550   0.042500   0.591829   0.004944   0.003573
     7  C   -0.050459  -4.091240   0.805531   0.246327   0.073357   0.070849
     8  H   -0.001891  -0.275805   0.016598  -0.001400  -0.000784  -0.000675
     9  H   -0.000360   0.004380  -0.002581  -0.001589   0.000127   0.000125
    10  H   -0.000736   0.001479   0.002727  -0.199092  -0.000910  -0.000974
    11  C    0.000621   0.020100  -0.005363   0.003724   0.000208   0.000248
    12  C    0.000167   0.002703  -0.000574  -0.000137   0.000022   0.000027
    13  C    0.000010   0.005771  -0.001235  -0.000379   0.000041   0.000034
    14  H    0.000031   0.016728  -0.000046   0.000759   0.000012   0.000004
    15  H   -0.000002   0.000474  -0.000043   0.000239   0.000004   0.000003
    16  H    0.000051  -0.001961   0.000031  -0.000312  -0.000003   0.000002
    17  H    0.000054   0.000005   0.000039  -0.000501  -0.000006  -0.000005
    18  O    0.000001  -0.000185   0.000040   0.000065  -0.000001  -0.000001
    19  O    0.000019   0.000391  -0.000043   0.000213   0.000001   0.000003
    20  H    0.000083  -0.000021  -0.000234   0.000315   0.000006   0.000010
    21  C   -0.037045   2.000035  -2.910499  -0.351936   0.117287   0.106938
    22  C    0.086625  -0.489363   1.131996   0.783971  -0.380897  -0.363569
    23  C   -0.135451   0.152438   0.119167  -3.553584   0.170421   0.167160
    24  O    0.129155   0.005249  -0.178833  -0.136727   0.156931   0.152404
    25  C    4.241772   0.018890  -0.079786   0.043504   0.351745   0.350470
    26  H    0.018890   3.542051  -0.381213   0.014351   0.006717   0.006440
    27  H   -0.079786  -0.381213   4.299862  -0.046014  -0.081166  -0.078615
    28  H    0.043504   0.014351  -0.046014   3.246442   0.012468   0.013018
    29  H    0.351745   0.006717  -0.081166   0.012468   1.427679  -0.115608
    30  H    0.350470   0.006440  -0.078615   0.013018  -0.115608   1.427050
    31  H    0.151683  -0.002404   0.045348  -0.018594  -0.540080  -0.538204
              31
     1  C   -0.015933
     2  C    0.158522
     3  C   -0.001254
     4  C    0.001775
     5  C   -0.003273
     6  C   -0.003563
     7  C   -0.052761
     8  H    0.000020
     9  H   -0.000145
    10  H    0.001746
    11  C    0.000022
    12  C    0.000012
    13  C   -0.000002
    14  H    0.000006
    15  H   -0.000001
    16  H    0.000005
    17  H    0.000010
    18  O    0.000000
    19  O    0.000002
    20  H    0.000009
    21  C   -0.264355
    22  C    0.839275
    23  C   -0.373207
    24  O   -0.548037
    25  C    0.151683
    26  H   -0.002404
    27  H    0.045348
    28  H   -0.018594
    29  H   -0.540080
    30  H   -0.538204
    31  H    2.651656
 Mulliken charges:
               1
     1  C    1.078471
     2  C    1.505619
     3  C    3.052369
     4  C   -0.650586
     5  C   -0.124905
     6  C    1.736069
     7  C   -0.116121
     8  H   -1.093897
     9  H   -1.101895
    10  H   -0.987598
    11  C    0.350831
    12  C    0.873570
    13  C    0.817573
    14  H   -0.508485
    15  H   -0.258988
    16  H   -0.202850
    17  H   -0.159120
    18  O   -0.504242
    19  O   -0.413919
    20  H    0.174064
    21  C    0.283024
    22  C   -0.147332
    23  C   -0.129936
    24  O   -0.538061
    25  C    0.944998
    26  H   -1.030043
    27  H   -1.161318
    28  H   -0.972683
    29  H   -0.113357
    30  H   -0.112974
    31  H   -0.488279
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.078471
     2  C    1.505619
     3  C    1.958472
     4  C   -0.650586
     5  C   -1.226800
     6  C    0.748471
     7  C   -1.146164
    11  C   -0.157654
    12  C    0.252612
    13  C    0.817573
    18  O   -0.504242
    19  O   -0.239855
    21  C   -0.878294
    22  C   -0.147332
    23  C   -1.102618
    24  O   -0.538061
    25  C    0.230389
 Electronic spatial extent (au):  <R**2>=           5621.8838
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.8367    Y=             -1.9372    Z=              1.7819  Tot=              6.4027
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -109.9827   YY=            -91.7558   ZZ=           -106.1619
   XY=              2.7839   XZ=             10.9501   YZ=             -0.6405
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.3492   YY=             10.8777   ZZ=             -3.5284
   XY=              2.7839   XZ=             10.9501   YZ=             -0.6405
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -268.5103  YYY=              1.8722  ZZZ=             -4.4724  XYY=              5.1781
  XXY=            -41.3443  XXZ=             43.3849  XZZ=             -5.3443  YZZ=             -1.8671
  YYZ=             -2.4105  XYZ=             -0.0409
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6402.2647 YYYY=           -605.3410 ZZZZ=           -496.9649 XXXY=             50.8034
 XXXZ=            238.9744 YYYX=             -7.9887 YYYZ=             -7.4882 ZZZX=              9.1040
 ZZZY=              2.2601 XXYY=          -1128.1778 XXZZ=          -1197.8545 YYZZ=           -201.9052
 XXYZ=              1.3201 YYXZ=             -6.1694 ZZXY=             -3.6058
 N-N= 1.131804836625D+03 E-N=-4.049820668203D+03  KE= 7.620922176019D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Aug 17 00:23:39 2021, MaxMem=  5637144576 cpu:               3.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30124803D+00-7.69776061D-01 6.94496309D-01
 Polarizability= 2.85439360D+02 1.18831820D+01 1.55814840D+02
                 1.11858391D+01-3.58322302D+00 1.12258383D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -5.9478   -5.9481        7.6271    7.6270
 2      5.9478    5.9481        1.8591    1.8585      -75.7648  -75.7689
 3     -7.6271   -7.6270       99.6417   99.6433       -1.8589   -1.8585
 4     -1.8591   -1.8585        0.0000    0.0000       -7.6258   -7.6270
 5    -23.8769  -23.8744        7.6258    7.6270       -5.9497   -5.9481
 6      1.8589    1.8585        5.9497    5.9481        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       17.8444   17.8444       22.8809   22.8809
 2     -5.5754   -5.5754       -0.0000    0.0000       22.8809   22.8809
 3     -5.5754   -5.5754       17.8444   17.8444       -0.0000    0.0000
 4     17.8444   17.8444        5.5754    5.5754     -227.3068 -227.3068
 5    -22.8809  -22.8809      298.9300  298.9300       -5.5754   -5.5754
 6    -71.6232  -71.6232       22.8809   22.8809      -17.8444  -17.8444
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0184    0.0000       23.8612   23.7926      -30.3460  -30.5078
 2    -23.7994  -23.7926       -7.3334   -7.4338      303.0986  303.0757
 3     30.4539   30.5078     -398.6242 -398.5733        7.4859    7.4338
 4      7.4353    7.4338        0.0286    0.0000       30.4818   30.5078
 5     95.4876   95.4976      -30.4290  -30.5078       23.7621   23.7926
 6     -7.4003   -7.4338      -23.7691  -23.7926       -0.0329    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0733    0.0000       16.1521   16.1962       22.7711   22.7748
 2    -16.0832  -16.1962       90.5801   90.5853      -39.5872  -39.4938
 3    -22.6737  -22.7748        3.8297    3.8020      -90.4074  -90.5853
 4    -90.5328  -90.5853       -0.0622    0.0000      -22.7697  -22.7748
 5     35.6265   35.6919       22.8774   22.7748       16.2800   16.1962
 6     90.5299   90.5853      -16.1262  -16.1962        0.0543    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -68.5904  -68.6180       -5.2949   -5.2756      -18.0479  -18.0542
 2   -221.2058 -221.2870        6.1521    6.2676      -17.9808  -18.0542
 3   -221.1883 -221.2870       -5.3869   -5.2756      -44.6587  -44.7238
 4    -11.5002  -11.5432      152.8181  152.6690      -39.2189  -39.2104
 5    -26.6636  -26.6695      -29.2496  -29.4407     -152.6909 -152.6690
 6     68.6022   68.6511       26.8180   26.6695       11.4622   11.5432
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4890   -1.7257   -0.0006    0.0008    0.0011    1.5985
 Low frequencies ---   27.6914   42.0774   50.3132
 Diagonal vibrational polarizability:
       50.8859867     104.3036288      49.6339502
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.6907                42.0773                50.3089
 Red. masses --      5.0562                 7.9050                 4.5123
 Frc consts  --      0.0023                 0.0082                 0.0067
 IR Inten    --      0.9793                 6.3711                 0.3352
 RamAct Fr= 1--      3.9710                 0.7994                 4.3866
  Dep-P Fr= 1--      0.7487                 0.6747                 0.7499
  Dep-U Fr= 1--      0.8563                 0.8058                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0011                 0.0000
 Beta2  Fr= 1--      0.5667                 0.1073                 0.6266
 AlphaG Fr= 1--      0.0030                 0.0169                -0.0003
 Gamma2 Fr= 1--      0.5778                -0.5630                 0.8157
 Delta2 Fr= 1--      0.2028                -0.1847                -0.1435
 Raman1 Fr= 1--      15.884                  3.197                 17.546
 ROA1   Fr= 1--      61.955                -59.963                 73.715
 CID1   Fr= 1--       3.900                -18.753                  4.201
 Raman2 Fr= 1--       6.801                  1.288                  7.519
 ROA2   Fr= 1--      12.244                -12.035                 20.725
 CID2   Fr= 1--       1.800                 -9.343                  2.756
 Raman3 Fr= 1--      13.602                  2.576                 15.039
 ROA3   Fr= 1--      61.955                -59.963                 73.715
 CID3   Fr= 1--       4.555                -23.274                  4.902
 RC180  Fr= 1--       0.713                  0.612                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03     0.00  -0.02   0.05    -0.01  -0.00   0.15
     2   6    -0.00  -0.03  -0.11     0.03  -0.02   0.04     0.01  -0.01   0.04
     3   6    -0.03  -0.04  -0.04    -0.00  -0.04   0.05    -0.01  -0.02   0.14
     4   6    -0.01  -0.06  -0.10     0.01  -0.06   0.03     0.00  -0.03   0.03
     5   6     0.01  -0.06  -0.18     0.04  -0.05   0.03     0.02  -0.04  -0.04
     6   6     0.01  -0.05  -0.19     0.04  -0.03   0.03     0.02  -0.03  -0.03
     7   6    -0.04  -0.00   0.06    -0.01   0.00   0.05    -0.02   0.01   0.23
     8   1    -0.04  -0.04   0.01    -0.02  -0.04   0.06    -0.02  -0.01   0.18
     9   1     0.02  -0.08  -0.23     0.05  -0.07   0.02     0.03  -0.05  -0.10
    10   1     0.03  -0.05  -0.24     0.06  -0.03   0.03     0.03  -0.03  -0.10
    11   6    -0.02  -0.06  -0.04     0.02  -0.06  -0.01     0.01  -0.05  -0.05
    12   6    -0.13  -0.15   0.07     0.03  -0.12   0.01     0.04  -0.13  -0.02
    13   6     0.07   0.07   0.05    -0.06   0.07  -0.03    -0.03   0.05  -0.05
    14   1    -0.01  -0.06  -0.13     0.02  -0.07  -0.08     0.02  -0.05  -0.13
    15   1    -0.13  -0.12   0.12     0.04  -0.12  -0.03     0.05  -0.11  -0.09
    16   1    -0.19  -0.24  -0.00     0.05  -0.17   0.00     0.08  -0.23  -0.02
    17   1    -0.17  -0.14   0.16     0.03  -0.12   0.06     0.00  -0.13   0.07
    18   8     0.05   0.13   0.17    -0.21   0.50  -0.08    -0.00  -0.01  -0.05
    19   8     0.19   0.12  -0.02     0.02  -0.32   0.00    -0.08   0.23  -0.05
    20   1     0.18   0.06  -0.11     0.09  -0.58   0.03    -0.09   0.25  -0.04
    21   6    -0.04   0.01   0.09    -0.00   0.02   0.02    -0.01   0.01   0.16
    22   6    -0.02   0.01   0.02     0.02   0.02  -0.00     0.01   0.00   0.01
    23   6    -0.00  -0.01  -0.08     0.04   0.01   0.01     0.02  -0.01  -0.02
    24   8    -0.02   0.02   0.05     0.03   0.05  -0.04     0.02  -0.00  -0.10
    25   6    -0.04   0.05   0.19     0.02   0.06  -0.10     0.03  -0.01  -0.23
    26   1    -0.05  -0.00   0.11    -0.03  -0.00   0.06    -0.04   0.02   0.33
    27   1    -0.05   0.03   0.16    -0.02   0.04   0.02    -0.02   0.03   0.21
    28   1     0.01  -0.02  -0.13     0.06   0.01  -0.00     0.03  -0.02  -0.13
    29   1     0.02   0.13   0.24    -0.04   0.05  -0.11    -0.12   0.03  -0.22
    30   1    -0.11  -0.01   0.24     0.06   0.06  -0.10     0.16  -0.04  -0.19
    31   1    -0.03   0.06   0.21     0.04   0.07  -0.15     0.04  -0.02  -0.39
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5110               125.0859               140.0679
 Red. masses --      3.8431                 5.1217                 4.1363
 Frc consts  --      0.0126                 0.0472                 0.0478
 IR Inten    --      4.2755                 0.0288                 0.2876
 RamAct Fr= 1--      0.9080                 0.6328                 1.4505
  Dep-P Fr= 1--      0.7209                 0.6600                 0.5313
  Dep-U Fr= 1--      0.8378                 0.7952                 0.6939
 Alpha2 Fr= 1--      0.0005                 0.0010                 0.0061
 Beta2  Fr= 1--      0.1268                 0.0839                 0.1677
 AlphaG Fr= 1--     -0.0111                 0.0098                 0.0177
 Gamma2 Fr= 1--     -0.2471                -0.7446                 2.1725
 Delta2 Fr= 1--      0.1723                -0.1154                 0.9079
 Raman1 Fr= 1--       3.632                  2.531                  5.802
 ROA1   Fr= 1--     -18.208                -75.176                237.611
 CID1   Fr= 1--      -5.013                -29.700                 40.954
 Raman2 Fr= 1--       1.521                  1.006                  2.013
 ROA2   Fr= 1--      -7.308                -16.947                 44.876
 CID2   Fr= 1--      -4.803                -16.840                 22.294
 Raman3 Fr= 1--       3.043                  2.013                  4.026
 ROA3   Fr= 1--     -18.208                -75.176                237.611
 CID3   Fr= 1--      -5.984                -37.350                 59.021
 RC180  Fr= 1--       0.676                  0.590                  0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.02  -0.09  -0.08    -0.02  -0.10   0.06
     2   6     0.02  -0.02  -0.04     0.05  -0.09  -0.12    -0.01  -0.09   0.11
     3   6     0.01  -0.01   0.07     0.02  -0.09   0.03    -0.00  -0.11  -0.01
     4   6     0.01  -0.01   0.09     0.01  -0.08   0.08    -0.01  -0.10  -0.05
     5   6     0.01  -0.01   0.09     0.03  -0.10  -0.04    -0.02  -0.09   0.02
     6   6     0.02  -0.01   0.02     0.05  -0.10  -0.16    -0.02  -0.09   0.11
     7   6     0.01  -0.01  -0.01    -0.01  -0.06  -0.09    -0.06  -0.07   0.04
     8   1     0.00  -0.01   0.07     0.01  -0.09   0.08     0.01  -0.11  -0.04
     9   1     0.02  -0.01   0.12     0.04  -0.11  -0.06    -0.02  -0.09  -0.00
    10   1     0.03  -0.02  -0.00     0.06  -0.11  -0.24    -0.03  -0.08   0.16
    11   6     0.01  -0.02   0.04     0.03   0.00   0.10     0.03   0.03  -0.03
    12   6     0.07  -0.05   0.02     0.02   0.15   0.04    -0.06   0.24  -0.09
    13   6    -0.06   0.03  -0.00    -0.07   0.04   0.05     0.06   0.02  -0.03
    14   1     0.02  -0.02   0.01     0.12   0.01   0.16     0.15   0.04   0.06
    15   1     0.08  -0.04  -0.05     0.07   0.27  -0.00    -0.03   0.34  -0.00
    16   1     0.13  -0.09   0.04     0.11   0.13   0.08    -0.06   0.32  -0.07
    17   1     0.05  -0.05   0.06    -0.11   0.15  -0.02    -0.14   0.23  -0.23
    18   8    -0.06   0.02  -0.05    -0.07   0.04  -0.03     0.06   0.02   0.01
    19   8    -0.13   0.08   0.03    -0.18   0.12   0.09     0.10   0.03  -0.05
    20   1    -0.12   0.08   0.07    -0.16   0.10   0.16     0.09   0.02  -0.08
    21   6     0.02  -0.01  -0.08    -0.00  -0.02  -0.04    -0.05  -0.02   0.01
    22   6     0.03  -0.01  -0.13     0.03  -0.00   0.03    -0.01  -0.01  -0.00
    23   6     0.03  -0.02  -0.12     0.07  -0.05  -0.08     0.01  -0.05   0.10
    24   8     0.04  -0.01  -0.21     0.04   0.09   0.23     0.03   0.06  -0.14
    25   6    -0.01   0.04   0.26     0.01   0.12  -0.06    -0.06   0.18  -0.00
    26   1     0.00  -0.01   0.02    -0.04  -0.07  -0.11    -0.10  -0.08   0.02
    27   1     0.01  -0.01  -0.09    -0.03   0.01  -0.02    -0.08  -0.00  -0.04
    28   1     0.04  -0.02  -0.16     0.10  -0.04  -0.07     0.05  -0.04   0.12
    29   1     0.19   0.28   0.40    -0.06  -0.13  -0.21    -0.11   0.33   0.08
    30   1    -0.24  -0.16   0.41     0.03   0.34  -0.25    -0.16   0.05   0.10
    31   1    -0.01   0.06   0.32     0.04   0.19   0.05    -0.00   0.26  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.9601               207.1774               210.2077
 Red. masses --      3.0466                 1.6540                 1.5262
 Frc consts  --      0.0601                 0.0418                 0.0397
 IR Inten    --      1.1137                 1.1644                 0.7576
 RamAct Fr= 1--      0.2999                 3.1115                 3.5555
  Dep-P Fr= 1--      0.6766                 0.3608                 0.2145
  Dep-U Fr= 1--      0.8071                 0.5303                 0.3533
 Alpha2 Fr= 1--      0.0004                 0.0264                 0.0464
 Beta2  Fr= 1--      0.0403                 0.2750                 0.2093
 AlphaG Fr= 1--      0.0004                -0.0023                 0.0139
 Gamma2 Fr= 1--     -0.6946                -0.9795                -1.0074
 Delta2 Fr= 1--      0.0378                -0.4881                -0.2573
 Raman1 Fr= 1--       1.200                 12.446                 14.222
 ROA1   Fr= 1--     -65.474               -109.654               -104.942
 CID1   Fr= 1--     -54.574                 -8.810                 -7.379
 Raman2 Fr= 1--       0.484                  3.300                  2.512
 ROA2   Fr= 1--     -16.973                -19.604                -22.119
 CID2   Fr= 1--     -35.055                 -5.941                 -8.805
 Raman3 Fr= 1--       0.968                  6.600                  5.024
 ROA3   Fr= 1--     -65.474               -109.654               -104.942
 CID3   Fr= 1--     -67.615                -16.615                -20.888
 RC180  Fr= 1--       0.614                  0.061                 -0.293
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.14    -0.01  -0.01   0.03     0.01   0.01  -0.01
     2   6     0.01  -0.02  -0.12    -0.02  -0.02  -0.02     0.02   0.01   0.02
     3   6     0.02  -0.02  -0.19    -0.00   0.01   0.07    -0.00  -0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.02   0.04    -0.00  -0.03  -0.03
     5   6    -0.02   0.02   0.19    -0.02   0.02   0.04     0.03  -0.02  -0.05
     6   6    -0.01   0.00   0.07    -0.03  -0.01   0.00     0.03   0.00  -0.01
     7   6    -0.01  -0.00   0.05    -0.02  -0.01   0.01     0.01   0.01  -0.01
     8   1     0.03  -0.03  -0.29     0.01   0.02   0.09    -0.01  -0.02  -0.04
     9   1    -0.04   0.05   0.41    -0.04   0.03   0.05     0.05  -0.04  -0.07
    10   1    -0.02   0.01   0.18    -0.04  -0.01  -0.01     0.05   0.00  -0.01
    11   6     0.00   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.04   0.01
    12   6     0.01   0.02  -0.00     0.12  -0.02  -0.05    -0.07   0.02   0.00
    13   6    -0.00   0.00   0.00     0.02   0.00  -0.01    -0.04  -0.01   0.01
    14   1     0.00   0.01   0.01    -0.02   0.00  -0.01    -0.03  -0.03   0.04
    15   1    -0.01  -0.05   0.04    -0.03  -0.42   0.13    -0.22  -0.34   0.34
    16   1    -0.02   0.09  -0.00    -0.09   0.37  -0.05    -0.39   0.45  -0.05
    17   1     0.10   0.01  -0.05     0.58  -0.04  -0.27     0.36  -0.00  -0.28
    18   8    -0.00   0.00   0.00     0.02   0.01   0.03    -0.05   0.01   0.02
    19   8    -0.00  -0.00   0.01     0.06   0.01  -0.03    -0.06   0.03   0.01
    20   1    -0.00   0.00   0.01     0.06  -0.00  -0.05    -0.05   0.02   0.02
    21   6    -0.02   0.02   0.21    -0.02  -0.02  -0.03     0.02   0.02   0.01
    22   6    -0.00  -0.00   0.02    -0.03  -0.02  -0.03     0.03   0.02   0.02
    23   6     0.01  -0.02  -0.14    -0.02  -0.03  -0.07     0.02   0.03   0.06
    24   8     0.00   0.01   0.01    -0.03   0.01   0.05     0.03  -0.01  -0.03
    25   6    -0.01   0.02  -0.02    -0.06   0.05  -0.01     0.06  -0.05   0.01
    26   1    -0.02   0.01   0.14    -0.02  -0.01   0.03     0.01   0.01  -0.03
    27   1    -0.04   0.04   0.44    -0.02  -0.03  -0.04     0.02   0.02   0.00
    28   1     0.02  -0.03  -0.21    -0.02  -0.03  -0.09     0.02   0.03   0.08
    29   1    -0.20   0.20   0.07     0.01  -0.12  -0.10     0.03   0.06   0.07
    30   1     0.15  -0.14   0.14    -0.17   0.19  -0.15     0.14  -0.14   0.10
    31   1     0.02  -0.00  -0.31    -0.05   0.11   0.19     0.05  -0.10  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    234.4759               243.9082               277.4463
 Red. masses --      2.1305                 2.0906                 2.7934
 Frc consts  --      0.0690                 0.0733                 0.1267
 IR Inten    --      2.4611                 3.9186                 1.6525
 RamAct Fr= 1--      1.6409                 1.4512                 3.0089
  Dep-P Fr= 1--      0.3061                 0.4080                 0.4434
  Dep-U Fr= 1--      0.4688                 0.5796                 0.6144
 Alpha2 Fr= 1--      0.0165                 0.0104                 0.0189
 Beta2  Fr= 1--      0.1282                 0.1402                 0.3081
 AlphaG Fr= 1--      0.0117                 0.0053                -0.0812
 Gamma2 Fr= 1--      1.3005                -0.1205                -0.5735
 Delta2 Fr= 1--      0.0852                -0.1361                -0.4383
 Raman1 Fr= 1--       6.564                  5.805                 12.036
 ROA1   Fr= 1--     127.576                -15.923                -69.080
 CID1   Fr= 1--      19.437                 -2.743                 -5.740
 Raman2 Fr= 1--       1.538                  1.682                  3.697
 ROA2   Fr= 1--      30.531                 -1.803                -10.257
 CID2   Fr= 1--      19.846                 -1.072                 -2.774
 Raman3 Fr= 1--       3.077                  3.364                  7.395
 ROA3   Fr= 1--     127.576                -15.923                -69.080
 CID3   Fr= 1--      41.464                 -4.733                 -9.342
 RC180  Fr= 1--      -0.062                  0.159                  0.229
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.03   0.01  -0.02    -0.00   0.00   0.09
     2   6     0.01   0.02  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
     3   6    -0.04  -0.05   0.01    -0.03  -0.03   0.04    -0.01   0.02   0.15
     4   6    -0.01  -0.08   0.00     0.00  -0.06   0.05    -0.02   0.01   0.02
     5   6     0.02  -0.07   0.08     0.01  -0.06  -0.01    -0.01   0.02   0.07
     6   6     0.04  -0.01   0.06     0.02  -0.03  -0.03    -0.01   0.02   0.07
     7   6    -0.04   0.05   0.05    -0.05   0.03  -0.06     0.02  -0.02  -0.01
     8   1    -0.09  -0.06  -0.00    -0.08  -0.04   0.05    -0.00   0.02   0.20
     9   1     0.04  -0.09   0.13     0.02  -0.08  -0.03    -0.01   0.02   0.09
    10   1     0.09   0.00   0.10     0.07  -0.02  -0.07    -0.02   0.02   0.09
    11   6    -0.00  -0.05  -0.02     0.03  -0.04   0.03    -0.04   0.01  -0.06
    12   6    -0.05   0.07  -0.05     0.15   0.03  -0.06    -0.15   0.01  -0.01
    13   6    -0.00  -0.01  -0.02     0.02  -0.01   0.02    -0.01   0.00  -0.05
    14   1     0.05  -0.04   0.02     0.06  -0.03   0.06    -0.03   0.01  -0.07
    15   1    -0.02   0.19  -0.04     0.18   0.07  -0.20    -0.15   0.04   0.12
    16   1    -0.02   0.06  -0.03     0.29   0.05   0.02    -0.25  -0.01  -0.07
    17   1    -0.17   0.07  -0.11     0.11   0.03  -0.11    -0.18   0.01   0.00
    18   8    -0.01   0.01   0.02     0.01   0.02   0.04    -0.00  -0.02  -0.01
    19   8     0.03   0.02  -0.04     0.04   0.03   0.00     0.04  -0.01  -0.08
    20   1     0.03  -0.01  -0.07     0.05  -0.01  -0.02     0.03  -0.01  -0.13
    21   6    -0.02   0.07   0.01    -0.04   0.06  -0.04     0.03  -0.03  -0.11
    22   6     0.00   0.07  -0.05    -0.05   0.06   0.01     0.04  -0.02  -0.07
    23   6     0.02   0.06  -0.09    -0.03   0.05   0.02     0.04  -0.02  -0.15
    24   8    -0.03   0.01   0.01    -0.07   0.01   0.02     0.04   0.02   0.14
    25   6     0.08  -0.13   0.02    -0.00  -0.09   0.01     0.05   0.01   0.02
    26   1    -0.07   0.05   0.08    -0.08   0.02  -0.09     0.03  -0.01  -0.01
    27   1    -0.02   0.09   0.01    -0.04   0.06  -0.04     0.03  -0.02  -0.13
    28   1     0.05   0.06  -0.12    -0.00   0.06   0.04     0.03  -0.03  -0.18
    29   1     0.41  -0.44  -0.14    -0.21   0.21   0.18    -0.26   0.27   0.14
    30   1    -0.04   0.14  -0.24     0.29  -0.35   0.28     0.33  -0.20   0.24
    31   1    -0.03  -0.20   0.46    -0.02  -0.22  -0.44     0.09  -0.04  -0.45
                     13                     14                     15
                      A                      A                      A
 Frequencies --    307.9476               347.9204               397.1233
 Red. masses --      4.7716                 3.8274                 4.9523
 Frc consts  --      0.2666                 0.2730                 0.4602
 IR Inten    --      8.5124                 1.1363                 1.3002
 RamAct Fr= 1--      7.0955                 5.8399                 1.5835
  Dep-P Fr= 1--      0.2556                 0.2212                 0.6599
  Dep-U Fr= 1--      0.4071                 0.3623                 0.7951
 Alpha2 Fr= 1--      0.0828                 0.0749                 0.0025
 Beta2  Fr= 1--      0.4814                 0.3527                 0.2098
 AlphaG Fr= 1--      0.1120                -0.0434                -0.0313
 Gamma2 Fr= 1--      0.0649                -0.6214                 1.8749
 Delta2 Fr= 1--      0.1942                 0.0601                 0.6983
 Raman1 Fr= 1--      28.382                 23.360                  6.334
 ROA1   Fr= 1--      12.439                -57.729                202.337
 CID1   Fr= 1--       0.438                 -2.471                 31.945
 Raman2 Fr= 1--       5.777                  4.232                  2.518
 ROA2   Fr= 1--       0.003                -15.394                 39.411
 CID2   Fr= 1--       0.001                 -3.638                 15.651
 Raman3 Fr= 1--      11.554                  8.464                  5.036
 ROA3   Fr= 1--      12.439                -57.729                202.337
 CID3   Fr= 1--       1.077                 -6.821                 40.176
 RC180  Fr= 1--      -0.186                 -0.275                  0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.02    -0.04  -0.14  -0.01     0.01   0.02  -0.07
     2   6     0.02   0.01  -0.00    -0.02  -0.14  -0.00     0.02   0.01  -0.12
     3   6    -0.03   0.03  -0.02     0.00  -0.02   0.01    -0.02  -0.00   0.11
     4   6    -0.07   0.05   0.01    -0.06   0.08   0.02    -0.02  -0.01   0.24
     5   6    -0.02   0.06  -0.01    -0.12   0.06  -0.01     0.00  -0.01   0.22
     6   6    -0.01   0.05  -0.02    -0.13  -0.06  -0.04     0.05  -0.02  -0.23
     7   6     0.06  -0.04   0.00    -0.10  -0.08  -0.01     0.03   0.01  -0.08
     8   1     0.00   0.04  -0.02     0.12   0.00   0.00    -0.04  -0.02   0.06
     9   1    -0.00   0.04  -0.00    -0.16   0.10  -0.00     0.01  -0.02   0.34
    10   1    -0.05   0.04  -0.04    -0.26  -0.09  -0.08     0.11  -0.03  -0.44
    11   6    -0.15  -0.06  -0.02    -0.04   0.14  -0.01    -0.01   0.02   0.01
    12   6     0.07   0.02  -0.20     0.05  -0.04   0.04    -0.08   0.02   0.06
    13   6    -0.15  -0.08   0.03    -0.00   0.07  -0.01    -0.03   0.02  -0.08
    14   1    -0.22  -0.06   0.05    -0.05   0.13  -0.07     0.04   0.02  -0.02
    15   1     0.14   0.18  -0.50     0.01  -0.18  -0.04    -0.09   0.03   0.21
    16   1     0.37  -0.02  -0.03     0.05  -0.09   0.02    -0.21   0.01  -0.02
    17   1    -0.08   0.02  -0.25     0.18  -0.03   0.17    -0.10   0.02   0.08
    18   8    -0.18  -0.02   0.28     0.03  -0.03  -0.02    -0.02  -0.03  -0.05
    19   8     0.03   0.03  -0.09     0.02  -0.04  -0.00     0.10  -0.01  -0.17
    20   1     0.01  -0.04  -0.25     0.00   0.05  -0.01     0.07   0.02  -0.32
    21   6     0.05  -0.07   0.03    -0.07   0.05   0.00     0.01   0.00   0.06
    22   6     0.08  -0.06   0.03     0.02   0.08   0.02    -0.01   0.01   0.14
    23   6     0.04  -0.03   0.03     0.05  -0.01   0.04    -0.01   0.03   0.17
    24   8     0.12  -0.01  -0.01     0.06   0.14  -0.03     0.00  -0.04  -0.09
    25   6     0.09   0.06  -0.00     0.24  -0.05   0.02    -0.04   0.00  -0.02
    26   1     0.12  -0.02   0.00    -0.21  -0.11  -0.03     0.05   0.01  -0.13
    27   1     0.05  -0.06   0.04    -0.11   0.10  -0.01     0.02  -0.01   0.02
    28   1    -0.02  -0.04   0.04     0.15   0.02   0.06    -0.04   0.03   0.23
    29   1     0.09   0.04  -0.01     0.41  -0.05   0.03     0.01  -0.01  -0.02
    30   1     0.03   0.07  -0.02     0.37  -0.04   0.03    -0.13   0.02  -0.04
    31   1     0.11   0.11   0.04     0.10  -0.25   0.06    -0.02   0.05   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.6870               454.3575               486.0512
 Red. masses --      3.3696                 5.4598                 2.5766
 Frc consts  --      0.3464                 0.6641                 0.3586
 IR Inten    --      0.0777                 1.7628                14.2128
 RamAct Fr= 1--      1.3266                 0.8408                 0.0781
  Dep-P Fr= 1--      0.7395                 0.6911                 0.1423
  Dep-U Fr= 1--      0.8502                 0.8174                 0.2492
 Alpha2 Fr= 1--      0.0002                 0.0009                 0.0012
 Beta2  Fr= 1--      0.1880                 0.1145                 0.0032
 AlphaG Fr= 1--      0.0019                 0.0057                -0.0083
 Gamma2 Fr= 1--      0.3123                 0.5972                -0.0694
 Delta2 Fr= 1--     -0.0048                 0.2241                -0.0430
 Raman1 Fr= 1--       5.306                  3.363                  0.312
 ROA1   Fr= 1--      29.829                 64.504                 -8.042
 CID1   Fr= 1--       5.621                 19.178                -25.739
 Raman2 Fr= 1--       2.256                  1.375                  0.039
 ROA2   Fr= 1--       7.535                 12.540                 -1.322
 CID2   Fr= 1--       3.340                  9.123                -33.957
 Raman3 Fr= 1--       4.512                  2.749                  0.078
 ROA3   Fr= 1--      29.829                 64.504                 -8.042
 CID3   Fr= 1--       6.612                 23.463               -103.303
 RC180  Fr= 1--       0.700                  0.635                 -0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.09     0.15  -0.15   0.03    -0.01   0.02   0.21
     2   6     0.00  -0.00  -0.03     0.10  -0.17   0.04    -0.01   0.02   0.19
     3   6     0.01  -0.02  -0.18     0.21  -0.01  -0.00     0.01  -0.02  -0.12
     4   6     0.00  -0.00  -0.01     0.10   0.12  -0.01    -0.01  -0.00   0.03
     5   6    -0.01   0.01   0.12     0.09   0.10  -0.03    -0.00  -0.00   0.06
     6   6     0.01  -0.02  -0.15     0.03  -0.08   0.03     0.01  -0.01  -0.10
     7   6    -0.02   0.03   0.25     0.01  -0.00   0.02     0.01  -0.01  -0.10
     8   1     0.03  -0.04  -0.40     0.40   0.04   0.02     0.03  -0.06  -0.45
     9   1    -0.02   0.03   0.25     0.03   0.17  -0.05     0.01  -0.02  -0.03
    10   1     0.02  -0.03  -0.29    -0.12  -0.11   0.03     0.04  -0.05  -0.42
    11   6     0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.02  -0.01
    12   6     0.00   0.00  -0.01    -0.03   0.00   0.02    -0.00  -0.00  -0.01
    13   6     0.00   0.00   0.01    -0.10  -0.03  -0.02    -0.01   0.03   0.00
    14   1    -0.00  -0.00  -0.00    -0.08   0.04   0.01     0.02   0.02  -0.03
    15   1     0.01   0.00  -0.03    -0.03   0.02   0.06    -0.00  -0.01  -0.02
    16   1     0.02   0.00  -0.00    -0.08  -0.07  -0.03    -0.00  -0.00  -0.01
    17   1     0.01   0.00  -0.02    -0.06   0.01   0.08     0.01   0.00   0.00
    18   8     0.00   0.00   0.01    -0.11  -0.03   0.12     0.00  -0.01   0.01
    19   8    -0.01  -0.01   0.02    -0.02  -0.01  -0.10    -0.00  -0.02   0.01
    20   1    -0.02   0.03   0.04    -0.04  -0.02  -0.18    -0.03   0.11   0.01
    21   6     0.02  -0.02  -0.21     0.04   0.17  -0.02     0.00   0.01   0.05
    22   6     0.01  -0.01  -0.11    -0.07   0.14  -0.04    -0.00   0.01   0.07
    23   6    -0.01   0.01   0.09     0.10  -0.00   0.00     0.01  -0.01  -0.12
    24   8    -0.00   0.01   0.06    -0.18   0.00  -0.01     0.00  -0.01  -0.01
    25   6     0.00   0.00   0.01    -0.19  -0.08  -0.01    -0.01  -0.00  -0.00
    26   1    -0.04   0.05   0.49    -0.20  -0.05   0.02     0.04  -0.05  -0.45
    27   1     0.03  -0.04  -0.33     0.03   0.18  -0.01     0.01  -0.01  -0.12
    28   1    -0.03   0.03   0.31     0.35   0.06   0.02     0.05  -0.05  -0.48
    29   1    -0.07   0.04   0.03    -0.18  -0.07  -0.00    -0.01   0.01   0.00
    30   1     0.06  -0.03   0.05    -0.17  -0.07  -0.01    -0.02  -0.01   0.00
    31   1     0.01  -0.01  -0.09    -0.20  -0.09  -0.01    -0.00   0.01  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    494.3120               512.3411               538.5383
 Red. masses --      3.8581                 3.9004                 5.5708
 Frc consts  --      0.5554                 0.6032                 0.9519
 IR Inten    --      4.5427                22.6816                 3.4739
 RamAct Fr= 1--      1.8584                 3.7386                21.8051
  Dep-P Fr= 1--      0.6734                 0.3091                 0.3516
  Dep-U Fr= 1--      0.8048                 0.4723                 0.5203
 Alpha2 Fr= 1--      0.0025                 0.0373                 0.1904
 Beta2  Fr= 1--      0.2493                 0.2943                 1.8908
 AlphaG Fr= 1--      0.0376                -0.1812                 0.1377
 Gamma2 Fr= 1--     -2.6259                 1.3001                 1.9203
 Delta2 Fr= 1--     -0.4620                -0.2768                 0.2754
 Raman1 Fr= 1--       7.433                 14.955                 87.221
 ROA1   Fr= 1--    -266.874                115.956                193.161
 CID1   Fr= 1--     -35.902                  7.754                  2.215
 Raman2 Fr= 1--       2.991                  3.531                 22.690
 ROA2   Fr= 1--     -59.326                 33.418                 43.883
 CID2   Fr= 1--     -19.833                  9.463                  1.934
 Raman3 Fr= 1--       5.983                  7.062                 45.379
 ROA3   Fr= 1--    -266.874                115.956                193.161
 CID3   Fr= 1--     -44.608                 16.419                  4.257
 RC180  Fr= 1--       0.610                 -0.055                  0.041
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03  -0.04     0.03  -0.01  -0.01    -0.11  -0.02  -0.01
     2   6     0.00   0.06   0.06     0.03  -0.00  -0.07     0.15   0.03  -0.00
     3   6    -0.04  -0.10  -0.07    -0.02  -0.09   0.08    -0.07   0.08  -0.00
     4   6    -0.06  -0.09   0.02    -0.06  -0.06  -0.04     0.00   0.05  -0.01
     5   6    -0.01  -0.12  -0.10    -0.05  -0.06   0.05     0.27   0.10   0.01
     6   6     0.02   0.02   0.08    -0.00  -0.00  -0.02     0.26   0.08   0.02
     7   6     0.02   0.03   0.04     0.05   0.01  -0.01    -0.22  -0.03  -0.01
     8   1    -0.12  -0.12  -0.09    -0.04  -0.08   0.14     0.02   0.09   0.01
     9   1     0.07  -0.21  -0.20    -0.01  -0.10   0.16     0.36   0.01   0.04
    10   1     0.11   0.04   0.11     0.02   0.01   0.05     0.24   0.08   0.03
    11   6    -0.02   0.19   0.07    -0.05   0.13  -0.15    -0.02   0.08  -0.05
    12   6     0.10   0.04   0.18    -0.05  -0.04  -0.17    -0.01   0.01  -0.03
    13   6    -0.13   0.12  -0.04    -0.00   0.19   0.01    -0.03   0.10  -0.01
    14   1     0.15   0.19   0.03     0.09   0.11  -0.35     0.05   0.08  -0.13
    15   1     0.04  -0.17   0.08    -0.07  -0.14  -0.25    -0.02  -0.05  -0.06
    16   1     0.09  -0.08   0.14    -0.03  -0.07  -0.17    -0.01  -0.03  -0.04
    17   1     0.28   0.05   0.41     0.06  -0.04  -0.08     0.05   0.01   0.05
    18   8    -0.07  -0.07   0.02     0.08  -0.02   0.09     0.01  -0.02   0.04
    19   8     0.06  -0.06  -0.14    -0.07  -0.11   0.14    -0.01  -0.06   0.02
    20   1    -0.05   0.27  -0.32    -0.17   0.46   0.29    -0.12   0.40   0.03
    21   6     0.04   0.00  -0.01     0.08   0.07   0.00    -0.26  -0.13  -0.01
    22   6     0.04  -0.01  -0.08     0.05   0.05   0.04    -0.04  -0.09   0.01
    23   6     0.01   0.04  -0.03     0.04   0.07   0.03     0.07  -0.14   0.03
    24   8     0.03  -0.05   0.04     0.01  -0.08  -0.01    -0.02   0.01  -0.00
    25   6    -0.02   0.01   0.00    -0.07  -0.01  -0.01     0.00  -0.04   0.00
    26   1     0.05   0.05   0.15     0.02   0.00  -0.02    -0.18  -0.03  -0.00
    27   1     0.02   0.02   0.08     0.05   0.10  -0.04    -0.28  -0.11  -0.01
    28   1    -0.03   0.04   0.02     0.09   0.09   0.06    -0.03  -0.16   0.03
    29   1    -0.10   0.00  -0.00    -0.14  -0.01  -0.01     0.04  -0.04   0.01
    30   1    -0.06   0.01  -0.00    -0.16  -0.01  -0.02     0.04  -0.03   0.01
    31   1     0.03   0.08  -0.02     0.00   0.11  -0.01    -0.03  -0.08   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    567.6145               584.9456               599.7614
 Red. masses --      2.8765                 1.4879                 2.7139
 Frc consts  --      0.5460                 0.3000                 0.5752
 IR Inten    --     11.2289                59.7496                 2.3228
 RamAct Fr= 1--      5.2200                 2.9363                 3.5639
  Dep-P Fr= 1--      0.3408                 0.4124                 0.5077
  Dep-U Fr= 1--      0.5084                 0.5840                 0.6735
 Alpha2 Fr= 1--      0.0472                 0.0208                 0.0170
 Beta2  Fr= 1--      0.4423                 0.2858                 0.4000
 AlphaG Fr= 1--     -0.1786                 0.1978                -0.0915
 Gamma2 Fr= 1--     -1.7099                 0.2106                -0.4050
 Delta2 Fr= 1--     -0.1511                -0.2212                -0.2894
 Raman1 Fr= 1--      20.880                 11.745                 14.256
 ROA1   Fr= 1--    -168.981                 13.136                -48.144
 CID1   Fr= 1--      -8.093                  1.118                 -3.377
 Raman2 Fr= 1--       5.308                  3.430                  4.801
 ROA2   Fr= 1--     -39.828                  6.823                 -7.406
 CID2   Fr= 1--      -7.504                  1.990                 -1.543
 Raman3 Fr= 1--      10.615                  6.859                  9.601
 ROA3   Fr= 1--    -168.981                 13.136                -48.144
 CID3   Fr= 1--     -15.919                  1.915                 -5.014
 RC180  Fr= 1--       0.017                  0.168                  0.347
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.00    -0.03  -0.02  -0.02    -0.03   0.01   0.09
     2   6    -0.04   0.01  -0.02    -0.02  -0.02   0.02     0.00  -0.01  -0.15
     3   6     0.08  -0.01   0.02    -0.02   0.04  -0.00    -0.01   0.01   0.00
     4   6     0.08  -0.04   0.00     0.01   0.03   0.03     0.02  -0.02  -0.19
     5   6    -0.02  -0.05   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.01
     6   6    -0.02  -0.01   0.00    -0.02  -0.02   0.01    -0.00  -0.01  -0.00
     7   6     0.09   0.09  -0.00    -0.02  -0.05  -0.00    -0.02  -0.01   0.05
     8   1     0.02  -0.02   0.01     0.01   0.05  -0.04    -0.03   0.03   0.18
     9   1    -0.05  -0.02   0.02    -0.03   0.06  -0.06    -0.04   0.05   0.39
    10   1     0.04   0.01   0.03    -0.06  -0.04  -0.02    -0.03   0.03   0.36
    11   6     0.07  -0.02  -0.03     0.00  -0.08   0.04     0.02   0.01   0.03
    12   6    -0.00  -0.00  -0.01    -0.00  -0.00   0.01     0.05   0.03   0.08
    13   6    -0.02   0.02  -0.02     0.02  -0.05   0.01    -0.01  -0.05   0.00
    14   1     0.11  -0.02  -0.08    -0.06  -0.08   0.05     0.01   0.02   0.12
    15   1     0.00   0.04   0.09     0.02   0.07   0.03     0.04  -0.01   0.04
    16   1    -0.08  -0.02  -0.06     0.02   0.06   0.04     0.07  -0.02   0.08
    17   1    -0.05   0.00  -0.01    -0.06  -0.01  -0.10     0.09   0.03   0.14
    18   8    -0.02   0.00   0.07    -0.01   0.04  -0.04    -0.04   0.01   0.01
    19   8    -0.03  -0.07  -0.02     0.04  -0.04  -0.00    -0.00   0.00  -0.03
    20   1    -0.20   0.68  -0.03    -0.19   0.91  -0.09    -0.05   0.18  -0.08
    21   6     0.01  -0.07   0.01     0.01   0.03   0.00    -0.00  -0.00  -0.06
    22   6    -0.12  -0.06   0.00     0.04   0.02  -0.03    -0.00   0.03   0.23
    23   6    -0.09  -0.11   0.01     0.01   0.05  -0.00    -0.00   0.02  -0.02
    24   8    -0.08   0.17  -0.03     0.03  -0.05   0.01     0.02  -0.03  -0.04
    25   6     0.07   0.02   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.01
    26   1     0.15   0.10   0.00    -0.05  -0.05   0.04     0.00  -0.04  -0.24
    27   1     0.16  -0.22   0.03    -0.05   0.09   0.06     0.02  -0.03  -0.54
    28   1    -0.15  -0.12   0.01     0.03   0.06   0.03     0.01  -0.01  -0.26
    29   1     0.23   0.02   0.01    -0.06  -0.00  -0.00    -0.00   0.02   0.00
    30   1     0.23   0.02   0.02    -0.06   0.00  -0.01    -0.04  -0.02   0.00
    31   1    -0.08  -0.20   0.02     0.03   0.07  -0.00     0.02   0.03  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    637.1476               684.8831               697.1971
 Red. masses --      5.1669                 4.3300                 4.3846
 Frc consts  --      1.2358                 1.1967                 1.2557
 IR Inten    --      0.5487                 6.6427                 5.4172
 RamAct Fr= 1--      1.0611                 2.1438                 0.2757
  Dep-P Fr= 1--      0.7289                 0.1445                 0.0958
  Dep-U Fr= 1--      0.8432                 0.2526                 0.1748
 Alpha2 Fr= 1--      0.0004                 0.0336                 0.0049
 Beta2  Fr= 1--      0.1491                 0.0902                 0.0080
 AlphaG Fr= 1--     -0.0065                 0.0881                -0.0538
 Gamma2 Fr= 1--      1.1984                -0.3800                 0.0576
 Delta2 Fr= 1--      0.1001                -0.1736                -0.0447
 Raman1 Fr= 1--       4.244                  8.575                  1.103
 ROA1   Fr= 1--     118.253                -42.035                  4.097
 CID1   Fr= 1--      27.862                 -4.902                  3.715
 Raman2 Fr= 1--       1.789                  1.083                  0.096
 ROA2   Fr= 1--      27.962                 -7.731                  1.740
 CID2   Fr= 1--      15.627                 -7.139                 18.044
 Raman3 Fr= 1--       3.579                  2.166                  0.193
 ROA3   Fr= 1--     118.253                -42.035                  4.097
 CID3   Fr= 1--      33.045                -19.408                 21.246
 RC180  Fr= 1--       0.686                 -0.495                 -0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01  -0.02    -0.02  -0.01  -0.10     0.05  -0.01  -0.10
     2   6    -0.15  -0.00   0.00    -0.05  -0.02  -0.04     0.05   0.01  -0.01
     3   6    -0.02   0.18  -0.01    -0.03   0.10  -0.08     0.06  -0.10  -0.03
     4   6     0.16   0.02   0.01     0.00   0.05   0.21    -0.00  -0.00   0.21
     5   6     0.07  -0.04   0.03     0.10  -0.03  -0.08    -0.11   0.03  -0.07
     6   6    -0.00  -0.20   0.01     0.05  -0.13   0.13    -0.09   0.16   0.06
     7   6    -0.05  -0.11  -0.01     0.06  -0.09   0.14    -0.11   0.15   0.07
     8   1    -0.06   0.17  -0.03    -0.02   0.09  -0.19     0.07  -0.12  -0.17
     9   1    -0.08   0.12  -0.05     0.08  -0.01  -0.40    -0.07  -0.03  -0.42
    10   1     0.05  -0.20  -0.05     0.07  -0.13   0.08    -0.12   0.14  -0.07
    11   6     0.20   0.03  -0.11    -0.07  -0.01   0.02     0.11  -0.05  -0.03
    12   6     0.03   0.02   0.03    -0.05  -0.03  -0.07     0.01  -0.01  -0.00
    13   6     0.00   0.03  -0.11    -0.06   0.14   0.04     0.07  -0.05  -0.08
    14   1     0.27   0.02  -0.15    -0.02  -0.03  -0.14     0.09  -0.05  -0.04
    15   1     0.04   0.10   0.32    -0.04  -0.00  -0.11     0.03   0.12   0.23
    16   1    -0.22  -0.10  -0.16     0.00   0.07  -0.01    -0.15  -0.01  -0.10
    17   1    -0.09   0.03   0.13    -0.07  -0.04  -0.19    -0.14  -0.01  -0.04
    18   8     0.01  -0.01   0.20    -0.00  -0.05  -0.07     0.05   0.03   0.09
    19   8    -0.15  -0.04  -0.08     0.08  -0.00   0.05    -0.09  -0.02  -0.06
    20   1    -0.06  -0.28   0.16     0.08  -0.10  -0.07    -0.06   0.02   0.15
    21   6    -0.01  -0.01   0.02     0.09  -0.04  -0.09    -0.11   0.04  -0.09
    22   6     0.05   0.01  -0.04    -0.03   0.03   0.20     0.01  -0.00   0.16
    23   6    -0.11   0.16  -0.02    -0.05   0.05  -0.07     0.07  -0.07  -0.04
    24   8     0.07  -0.07   0.02    -0.04   0.06  -0.04     0.07  -0.10  -0.00
    25   6     0.05   0.03   0.00    -0.00   0.01  -0.00     0.01  -0.00  -0.00
    26   1    -0.05  -0.11   0.03     0.10  -0.08   0.11    -0.16   0.14   0.09
    27   1    -0.11   0.10   0.09     0.12  -0.08  -0.43    -0.10   0.02  -0.32
    28   1    -0.17   0.15   0.04    -0.03   0.02  -0.33     0.09  -0.09  -0.23
    29   1    -0.02   0.02  -0.00     0.07   0.02   0.01    -0.07   0.01  -0.00
    30   1    -0.02   0.03  -0.01     0.04  -0.01   0.01    -0.09  -0.01  -0.01
    31   1     0.10   0.11  -0.00    -0.05  -0.07  -0.01     0.10   0.12  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    747.9426               778.9933               790.5484
 Red. masses --      5.9249                 2.7797                 3.5418
 Frc consts  --      1.9528                 0.9938                 1.3042
 IR Inten    --      9.0611                 1.8277                 1.2680
 RamAct Fr= 1--     40.5976                 6.1801                26.1220
  Dep-P Fr= 1--      0.0829                 0.1088                 0.0950
  Dep-U Fr= 1--      0.1531                 0.1962                 0.1735
 Alpha2 Fr= 1--      0.7410                 0.1059                 0.4630
 Beta2  Fr= 1--      1.0358                 0.2021                 0.7552
 AlphaG Fr= 1--     -0.3878                -0.0492                 0.4288
 Gamma2 Fr= 1--     -2.3465                 0.8885                 2.2324
 Delta2 Fr= 1--      0.2836                 0.8747                -0.1204
 Raman1 Fr= 1--     162.390                 24.721                104.488
 ROA1   Fr= 1--    -216.184                113.284                210.457
 CID1   Fr= 1--      -1.331                  4.583                  2.014
 Raman2 Fr= 1--      12.429                  2.425                  9.063
 ROA2   Fr= 1--     -58.584                 14.326                 54.540
 CID2   Fr= 1--      -4.713                  5.907                  6.018
 Raman3 Fr= 1--      24.859                  4.851                 18.126
 ROA3   Fr= 1--    -216.184                113.284                210.457
 CID3   Fr= 1--      -8.696                 23.355                 11.611
 RC180  Fr= 1--      -0.694                 -0.608                 -0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.09   0.05     0.02   0.01  -0.19     0.01  -0.08  -0.07
     2   6    -0.04  -0.07  -0.02    -0.02  -0.01   0.20    -0.02   0.09   0.10
     3   6     0.11   0.08  -0.01    -0.02   0.03   0.05     0.08  -0.07   0.03
     4   6     0.13   0.01  -0.03     0.00   0.00  -0.11     0.06  -0.04  -0.08
     5   6    -0.01  -0.04  -0.01     0.01  -0.02   0.10    -0.04   0.06   0.03
     6   6    -0.05  -0.18  -0.00     0.02  -0.09  -0.04    -0.03   0.19  -0.08
     7   6    -0.10   0.31  -0.06    -0.00   0.08   0.02    -0.02  -0.15   0.02
     8   1     0.09   0.08   0.03    -0.05   0.06   0.32     0.11  -0.04   0.25
     9   1    -0.18   0.14   0.12    -0.00  -0.01   0.01    -0.02   0.05   0.17
    10   1    -0.07  -0.17   0.14     0.05  -0.13  -0.31     0.00   0.20  -0.05
    11   6     0.02  -0.04   0.02    -0.04   0.07  -0.01     0.12  -0.12  -0.00
    12   6    -0.02  -0.03  -0.05    -0.01   0.01  -0.01     0.04  -0.02   0.01
    13   6    -0.16   0.17   0.11     0.03  -0.08   0.00    -0.11   0.16   0.05
    14   1     0.09  -0.06  -0.20    -0.09   0.08   0.11     0.23  -0.14  -0.26
    15   1     0.00   0.06  -0.02    -0.05  -0.12  -0.12     0.10   0.21   0.23
    16   1    -0.02   0.08  -0.01     0.03  -0.08  -0.01    -0.06   0.12   0.00
    17   1    -0.09  -0.04  -0.21     0.11   0.02   0.15    -0.17  -0.03  -0.23
    18   8    -0.10  -0.09  -0.09    -0.01   0.02  -0.00    -0.06  -0.07  -0.02
    19   8     0.13   0.01   0.10    -0.00   0.01   0.01     0.06  -0.01   0.04
    20   1     0.09  -0.09  -0.27    -0.02   0.07   0.01     0.04  -0.10  -0.16
    21   6    -0.15   0.08   0.01     0.00   0.00  -0.11    -0.02  -0.04  -0.05
    22   6    -0.01  -0.04  -0.03    -0.02   0.00   0.10     0.01   0.01   0.03
    23   6    -0.02  -0.09   0.02     0.00  -0.03  -0.01    -0.04   0.09  -0.01
    24   8     0.12  -0.15   0.03     0.01  -0.02  -0.00    -0.01   0.02  -0.00
    25   6     0.08   0.03   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.15   0.30  -0.14    -0.02   0.13   0.44    -0.10  -0.15   0.23
    27   1    -0.07   0.01   0.01     0.01   0.00   0.22    -0.12   0.07   0.15
    28   1    -0.03  -0.09   0.09     0.06  -0.08  -0.50    -0.09   0.04  -0.32
    29   1    -0.07   0.03  -0.00     0.00   0.01  -0.00     0.02  -0.00   0.00
    30   1    -0.06   0.03  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.00
    31   1     0.20   0.22  -0.01     0.02   0.03   0.01    -0.02  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    811.4904               819.7663               833.3944
 Red. masses --      3.1406                 1.5203                 1.6920
 Frc consts  --      1.2185                 0.6020                 0.6924
 IR Inten    --      7.5452                20.1261                 1.4816
 RamAct Fr= 1--      6.3290                 0.7262                 1.6153
  Dep-P Fr= 1--      0.3114                 0.4170                 0.1551
  Dep-U Fr= 1--      0.4749                 0.5886                 0.2686
 Alpha2 Fr= 1--      0.0627                 0.0051                 0.0246
 Beta2  Fr= 1--      0.5009                 0.0712                 0.0723
 AlphaG Fr= 1--     -0.1483                 0.0023                -0.0013
 Gamma2 Fr= 1--     -0.4242                -0.6791                -0.0255
 Delta2 Fr= 1--     -0.1614                 0.0316                -0.2178
 Raman1 Fr= 1--      25.316                  2.905                  6.461
 ROA1   Fr= 1--     -45.892                -64.183                 -9.422
 CID1   Fr= 1--      -1.813                -22.095                 -1.458
 Raman2 Fr= 1--       6.011                  0.855                  0.868
 ROA2   Fr= 1--      -8.890                -16.551                  1.129
 CID2   Fr= 1--      -1.479                -19.360                  1.301
 Raman3 Fr= 1--      12.022                  1.710                  1.736
 ROA3   Fr= 1--     -45.892                -64.183                 -9.422
 CID3   Fr= 1--      -3.817                -37.539                 -5.429
 RC180  Fr= 1--      -0.050                  0.177                 -0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.03    -0.01   0.01   0.11     0.02  -0.02  -0.03
     2   6     0.05  -0.07   0.07     0.01  -0.01  -0.05    -0.03   0.03   0.06
     3   6    -0.13   0.09  -0.04    -0.01   0.01   0.01     0.05  -0.03  -0.01
     4   6    -0.05  -0.01  -0.02    -0.00   0.00   0.03     0.00   0.02   0.11
     5   6    -0.02   0.03  -0.03     0.00  -0.01  -0.05     0.02  -0.02  -0.09
     6   6    -0.03  -0.05  -0.06    -0.00  -0.00   0.00     0.02  -0.01  -0.10
     7   6     0.04   0.05   0.00     0.01  -0.01  -0.10    -0.01  -0.00   0.02
     8   1    -0.24   0.09   0.15     0.02  -0.04  -0.37     0.09  -0.02   0.05
     9   1    -0.08   0.10   0.30    -0.01   0.01   0.12    -0.02   0.04   0.54
    10   1    -0.19  -0.05   0.25    -0.02   0.02   0.22     0.00   0.08   0.64
    11   6    -0.03  -0.14   0.07     0.00   0.00  -0.00    -0.03   0.04   0.01
    12   6     0.03  -0.01   0.09     0.00   0.00   0.00    -0.03  -0.01  -0.04
    13   6     0.01   0.18  -0.07     0.00  -0.01   0.00     0.03  -0.04  -0.01
    14   1     0.03  -0.16  -0.17    -0.00   0.00   0.01    -0.06   0.04   0.08
    15   1     0.10   0.18   0.07    -0.00  -0.00   0.00    -0.05  -0.06  -0.07
    16   1     0.16   0.26   0.25    -0.00  -0.01  -0.01    -0.03  -0.05  -0.05
    17   1    -0.09  -0.02  -0.27     0.00   0.00   0.01     0.02  -0.01   0.04
    18   8     0.09  -0.01   0.04    -0.00   0.00  -0.00     0.01   0.02   0.00
    19   8    -0.06  -0.05  -0.08    -0.00   0.00   0.00    -0.01   0.00  -0.01
    20   1    -0.02  -0.10   0.11     0.00  -0.01  -0.00    -0.00   0.01   0.03
    21   6     0.05   0.02  -0.01     0.01  -0.01  -0.10    -0.02  -0.00   0.02
    22   6     0.02   0.01  -0.02    -0.01   0.01   0.08    -0.01  -0.01  -0.06
    23   6     0.11  -0.10   0.04     0.00  -0.00   0.01    -0.05   0.04   0.05
    24   8    -0.02   0.03   0.00     0.00  -0.00  -0.02     0.01  -0.01   0.02
    25   6    -0.04  -0.03  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
    26   1     0.11   0.07   0.00    -0.04   0.06   0.54    -0.03  -0.02  -0.11
    27   1     0.09  -0.01   0.04    -0.05   0.07   0.66    -0.01  -0.01  -0.08
    28   1     0.28  -0.09  -0.19     0.02  -0.01  -0.10    -0.06  -0.02  -0.41
    29   1    -0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
    30   1    -0.02  -0.02   0.00    -0.01   0.00  -0.01     0.01   0.01   0.00
    31   1    -0.05  -0.04   0.00    -0.00   0.00   0.03     0.03   0.02  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    859.0113               898.4820               910.5673
 Red. masses --      3.0679                 1.6982                 1.5083
 Frc consts  --      1.3338                 0.8077                 0.7368
 IR Inten    --     11.1390                31.7275                11.8067
 RamAct Fr= 1--     27.0475                 1.8638                 0.5307
  Dep-P Fr= 1--      0.0909                 0.7346                 0.4362
  Dep-U Fr= 1--      0.1666                 0.8470                 0.6074
 Alpha2 Fr= 1--      0.4842                 0.0005                 0.0034
 Beta2  Fr= 1--      0.7512                 0.2631                 0.0537
 AlphaG Fr= 1--      0.0842                -0.0059                -0.0114
 Gamma2 Fr= 1--      1.9819                -0.1156                 0.0601
 Delta2 Fr= 1--     -0.6709                 0.2167                 0.1578
 Raman1 Fr= 1--     108.190                  7.455                  2.123
 ROA1   Fr= 1--     168.793                 -4.164                 10.821
 CID1   Fr= 1--       1.560                 -0.559                  5.097
 Raman2 Fr= 1--       9.014                  3.157                  0.645
 ROA2   Fr= 1--      52.932                 -4.508                  0.181
 CID2   Fr= 1--       5.872                 -1.428                  0.280
 Raman3 Fr= 1--      18.028                  6.314                  1.289
 ROA3   Fr= 1--     168.793                 -4.164                 10.821
 CID3   Fr= 1--       9.363                 -0.659                  8.392
 RC180  Fr= 1--      -0.667                  0.694                  0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.04     0.00  -0.00  -0.03    -0.01   0.02   0.08
     2   6     0.07  -0.02   0.03    -0.01   0.01   0.11     0.01   0.00  -0.02
     3   6    -0.12   0.09   0.00    -0.00   0.00   0.01     0.01  -0.01  -0.17
     4   6    -0.00  -0.02   0.05     0.00   0.00   0.02     0.00   0.01   0.07
     5   6    -0.07  -0.03  -0.03    -0.00  -0.01  -0.05    -0.02  -0.02   0.00
     6   6    -0.04   0.01  -0.03     0.00  -0.00  -0.05    -0.01   0.00   0.02
     7   6     0.02  -0.02   0.02    -0.00   0.00   0.02    -0.00  -0.01   0.00
     8   1    -0.27   0.04  -0.19    -0.00   0.00  -0.00    -0.08   0.11   0.88
     9   1    -0.09  -0.00   0.10    -0.03   0.04   0.36    -0.02  -0.01  -0.02
    10   1    -0.12   0.02   0.19    -0.01   0.02   0.16     0.01  -0.00  -0.07
    11   6     0.16   0.06  -0.11     0.00   0.00   0.00     0.01   0.02   0.01
    12   6     0.05   0.01  -0.06    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    13   6    -0.05  -0.10   0.05     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    14   1     0.22   0.06  -0.01     0.01   0.00   0.02     0.01   0.02   0.02
    15   1     0.02   0.02   0.31    -0.01  -0.00   0.00    -0.01  -0.02   0.02
    16   1    -0.31  -0.24  -0.35    -0.02  -0.02  -0.02    -0.06  -0.05  -0.08
    17   1    -0.06   0.03   0.22    -0.00  -0.00   0.01    -0.02  -0.01   0.02
    18   8    -0.10  -0.02  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8     0.07   0.04   0.10     0.00   0.00   0.00     0.01   0.00   0.01
    20   1     0.04   0.03  -0.11     0.00  -0.01   0.00    -0.00   0.03   0.00
    21   6     0.03  -0.02   0.02     0.00  -0.01  -0.03    -0.00  -0.02  -0.05
    22   6     0.05   0.02  -0.03    -0.01   0.01   0.09     0.01   0.00   0.02
    23   6     0.14  -0.06   0.04     0.02  -0.02  -0.18     0.02   0.00   0.00
    24   8    -0.02   0.05  -0.00     0.00   0.00  -0.02    -0.00   0.01  -0.01
    25   6    -0.07  -0.04  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    26   1     0.14   0.00  -0.05     0.01  -0.00  -0.03     0.03  -0.01  -0.12
    27   1     0.02  -0.02  -0.11    -0.01   0.00   0.04    -0.04   0.03   0.34
    28   1     0.29  -0.05  -0.13    -0.06   0.09   0.87     0.03   0.01   0.04
    29   1    -0.03  -0.03   0.00     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    30   1    -0.03  -0.04   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.09  -0.08  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    937.7349               948.3059               978.3158
 Red. masses --      4.3978                 1.3319                 1.6526
 Frc consts  --      2.2785                 0.7057                 0.9319
 IR Inten    --     10.4377                 1.8608                 1.6245
 RamAct Fr= 1--      7.0070                 0.9875                 8.1133
  Dep-P Fr= 1--      0.2725                 0.6290                 0.1890
  Dep-U Fr= 1--      0.4283                 0.7722                 0.3180
 Alpha2 Fr= 1--      0.0779                 0.0022                 0.1134
 Beta2  Fr= 1--      0.5002                 0.1271                 0.4299
 AlphaG Fr= 1--     -0.0336                 0.0163                -0.3620
 Gamma2 Fr= 1--     -3.8848                 0.2093                -4.0721
 Delta2 Fr= 1--      0.4000                -0.2271                -0.4594
 Raman1 Fr= 1--      28.028                  3.950                 32.453
 ROA1   Fr= 1--    -360.144                 12.831               -405.619
 CID1   Fr= 1--     -12.849                  3.248                -12.499
 Raman2 Fr= 1--       6.003                  1.525                  5.159
 ROA2   Fr= 1--     -96.436                  6.841                -94.055
 CID2   Fr= 1--     -16.066                  4.485                -18.230
 Raman3 Fr= 1--      12.005                  3.050                 10.319
 ROA3   Fr= 1--    -360.144                 12.831               -405.619
 CID3   Fr= 1--     -29.999                  4.206                -39.309
 RC180  Fr= 1--      -0.143                  0.544                 -0.364
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.06   0.01    -0.01   0.00   0.03    -0.01  -0.01  -0.01
     2   6    -0.06  -0.07   0.00    -0.00  -0.00   0.01     0.00   0.01  -0.02
     3   6    -0.13  -0.13  -0.02    -0.00  -0.01  -0.05    -0.00   0.07   0.01
     4   6    -0.13  -0.02   0.01    -0.01   0.00   0.02     0.03  -0.01   0.01
     5   6     0.17   0.20  -0.01     0.01   0.01  -0.01    -0.02  -0.07  -0.10
     6   6     0.05   0.01  -0.01     0.00   0.00   0.00    -0.01   0.07   0.10
     7   6     0.04   0.04   0.02     0.01  -0.01  -0.12    -0.01  -0.05   0.01
     8   1    -0.19  -0.13   0.12    -0.03   0.02   0.24     0.00   0.06  -0.07
     9   1     0.27   0.11  -0.01     0.01   0.01   0.08    -0.05  -0.02   0.64
    10   1    -0.21  -0.03   0.05    -0.01  -0.00  -0.03     0.16   0.01  -0.63
    11   6     0.05  -0.02  -0.08     0.01   0.00   0.00     0.01  -0.00   0.03
    12   6     0.08   0.02   0.01     0.00  -0.00  -0.01    -0.03   0.00  -0.02
    13   6    -0.01  -0.03   0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.16  -0.02  -0.10     0.01   0.00   0.01     0.04   0.01   0.10
    15   1     0.08   0.11   0.31    -0.00   0.00   0.02    -0.04  -0.07  -0.09
    16   1    -0.16  -0.07  -0.15    -0.02  -0.02  -0.03     0.01  -0.04  -0.02
    17   1    -0.07   0.03   0.12    -0.01   0.00   0.01     0.05   0.00   0.04
    18   8    -0.03  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8     0.02   0.01   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.01
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00    -0.00  -0.01  -0.01
    21   6     0.16   0.20  -0.03     0.00   0.02   0.09     0.04   0.08  -0.01
    22   6    -0.12  -0.02  -0.00    -0.01  -0.00  -0.00    -0.02  -0.00  -0.01
    23   6    -0.14  -0.13  -0.00    -0.00  -0.01  -0.01    -0.01  -0.08   0.03
    24   8    -0.00  -0.08   0.01    -0.00  -0.00   0.00    -0.00  -0.02   0.00
    25   6     0.11   0.08   0.00     0.00   0.00   0.00     0.02   0.01   0.00
    26   1    -0.17  -0.02  -0.16    -0.07   0.08   0.74    -0.14  -0.08  -0.06
    27   1     0.23   0.14   0.14     0.06  -0.05  -0.58    -0.01   0.13   0.00
    28   1    -0.23  -0.15   0.02    -0.01  -0.00   0.05    -0.03  -0.10  -0.07
    29   1     0.05   0.06  -0.01     0.01   0.01   0.00     0.00   0.01  -0.00
    30   1     0.05   0.06   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    31   1     0.13   0.12   0.00     0.01   0.00  -0.02     0.03   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.3636              1011.2234              1069.8029
 Red. masses --      2.3418                 1.7381                 3.6666
 Frc consts  --      1.3288                 1.0472                 2.4724
 IR Inten    --      1.8293                 6.1291                56.9896
 RamAct Fr= 1--     14.7196                 3.2190                 5.7134
  Dep-P Fr= 1--      0.1466                 0.2504                 0.1143
  Dep-U Fr= 1--      0.2557                 0.4005                 0.2052
 Alpha2 Fr= 1--      0.2295                 0.0381                 0.0966
 Beta2  Fr= 1--      0.6273                 0.2148                 0.1954
 AlphaG Fr= 1--      0.3366                 0.0308                -0.0020
 Gamma2 Fr= 1--      3.7597                 0.4353                 0.1582
 Delta2 Fr= 1--      1.0293                -0.7070                 0.0539
 Raman1 Fr= 1--      58.879                 12.876                 22.853
 ROA1   Fr= 1--     393.868                 19.163                 16.910
 CID1   Fr= 1--       6.689                  1.488                  0.740
 Raman2 Fr= 1--       7.527                  2.578                  2.345
 ROA2   Fr= 1--      81.998                 16.103                  3.364
 CID2   Fr= 1--      10.893                  6.246                  1.435
 Raman3 Fr= 1--      15.055                  5.156                  4.689
 ROA3   Fr= 1--     393.868                 19.163                 16.910
 CID3   Fr= 1--      26.162                  3.716                  3.606
 RC180  Fr= 1--      -0.489                 -0.199                 -0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.02   0.01  -0.00    -0.02  -0.01  -0.00
     2   6    -0.00  -0.02  -0.01    -0.02  -0.02  -0.00    -0.06   0.05  -0.01
     3   6    -0.01  -0.13   0.02    -0.01  -0.03   0.01     0.02  -0.05   0.01
     4   6    -0.06   0.01   0.01     0.05  -0.07  -0.01     0.01   0.00   0.00
     5   6     0.06   0.11  -0.10     0.03   0.10   0.01     0.03   0.04  -0.00
     6   6    -0.02  -0.08   0.09    -0.03   0.02  -0.01    -0.00  -0.04   0.00
     7   6     0.02   0.09  -0.00     0.01   0.01   0.00    -0.03   0.03  -0.01
     8   1    -0.02  -0.14  -0.01    -0.13  -0.06  -0.04     0.04  -0.05   0.01
     9   1    -0.04   0.24   0.51    -0.02   0.16  -0.11    -0.04   0.11  -0.01
    10   1    -0.19  -0.20  -0.50    -0.22  -0.02   0.02     0.02  -0.04   0.00
    11   6     0.00  -0.01  -0.03     0.06  -0.05   0.12    -0.00   0.01  -0.00
    12   6     0.03  -0.00   0.01    -0.08   0.03  -0.10    -0.01  -0.01   0.01
    13   6    -0.00  -0.01  -0.00    -0.01   0.07   0.01     0.00  -0.01   0.00
    14   1    -0.01  -0.01  -0.08     0.39  -0.01   0.48    -0.00   0.01  -0.03
    15   1     0.05   0.09   0.15    -0.18  -0.34  -0.29     0.00   0.01  -0.02
    16   1    -0.05   0.02  -0.03    -0.00  -0.26  -0.14     0.02   0.03   0.03
    17   1    -0.06   0.00  -0.01     0.21   0.03   0.27    -0.00  -0.01  -0.03
    18   8    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00   0.00   0.00
    19   8     0.01   0.00   0.01    -0.01  -0.01  -0.03     0.00   0.00  -0.00
    20   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00  -0.00   0.00
    21   6    -0.06  -0.14   0.01    -0.00  -0.01   0.00     0.04   0.10  -0.01
    22   6     0.04   0.00  -0.00     0.01   0.00   0.00     0.15  -0.08   0.02
    23   6     0.01   0.14  -0.00     0.01   0.01  -0.00    -0.05  -0.08   0.00
    24   8     0.00   0.03  -0.00     0.00   0.01  -0.00     0.19   0.19  -0.00
    25   6    -0.03  -0.02  -0.00    -0.01  -0.00  -0.00    -0.21  -0.18   0.00
    26   1     0.26   0.13  -0.03     0.06   0.02   0.00    -0.24  -0.02  -0.02
    27   1     0.03  -0.23   0.03    -0.00  -0.01   0.00    -0.08   0.25  -0.03
    28   1     0.07   0.15  -0.07     0.05   0.03   0.00    -0.67  -0.24  -0.03
    29   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13   0.02
    30   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13  -0.01
    31   1    -0.05  -0.05   0.00    -0.01  -0.01   0.00    -0.18  -0.14   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1088.3007              1103.8713              1165.9612
 Red. masses --      1.7831                 2.5888                 1.6234
 Frc consts  --      1.2443                 1.8586                 1.3003
 IR Inten    --     14.6257                10.3216                20.9241
 RamAct Fr= 1--      3.9318                11.3439                 6.5653
  Dep-P Fr= 1--      0.2132                 0.3507                 0.5331
  Dep-U Fr= 1--      0.3515                 0.5193                 0.6954
 Alpha2 Fr= 1--      0.0515                 0.0994                 0.0275
 Beta2  Fr= 1--      0.2303                 0.9818                 0.7609
 AlphaG Fr= 1--     -0.0582                 0.1034                 0.0021
 Gamma2 Fr= 1--      0.2096                -0.2092                 3.0796
 Delta2 Fr= 1--     -0.4751                 1.3765                 6.2885
 Raman1 Fr= 1--      15.727                 45.376                 26.261
 ROA1   Fr= 1--       4.915                 23.965                496.870
 CID1   Fr= 1--       0.313                  0.528                 18.920
 Raman2 Fr= 1--       2.764                 11.781                  9.131
 ROA2   Fr= 1--       8.830                -16.032                 23.601
 CID2   Fr= 1--       3.195                 -1.361                  2.585
 Raman3 Fr= 1--       5.528                 23.563                 18.262
 ROA3   Fr= 1--       4.915                 23.965                496.870
 CID3   Fr= 1--       0.889                  1.017                 27.207
 RC180  Fr= 1--      -0.297                  0.039                  0.391
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.03   0.02  -0.00    -0.01   0.08  -0.01
     2   6     0.01   0.01  -0.00     0.01   0.00  -0.00     0.01   0.06  -0.01
     3   6    -0.01   0.00   0.01    -0.04  -0.05   0.01     0.02  -0.07   0.01
     4   6    -0.06   0.05  -0.06     0.04  -0.01  -0.02     0.05  -0.02  -0.00
     5   6    -0.01  -0.04   0.01     0.02   0.03   0.00    -0.02   0.04  -0.01
     6   6     0.02  -0.02   0.00    -0.00  -0.00   0.00     0.02  -0.06   0.01
     7   6    -0.00   0.01  -0.00    -0.00  -0.01   0.00     0.03  -0.07   0.01
     8   1     0.13   0.02  -0.05    -0.25  -0.11  -0.04    -0.20  -0.13  -0.02
     9   1     0.03  -0.10  -0.02    -0.03   0.08  -0.01    -0.32   0.36  -0.07
    10   1     0.12  -0.00   0.00    -0.09  -0.02  -0.01     0.16  -0.03   0.01
    11   6    -0.03   0.01   0.13     0.13   0.20   0.13    -0.05   0.01   0.01
    12   6     0.10  -0.04  -0.11    -0.07  -0.16  -0.04     0.02  -0.01  -0.00
    13   6     0.00   0.07   0.06     0.03  -0.07   0.12    -0.01   0.01  -0.07
    14   1    -0.27   0.03   0.33     0.10   0.17  -0.19    -0.22   0.02   0.09
    15   1     0.10   0.12   0.47     0.05   0.19  -0.16     0.03   0.03   0.09
    16   1    -0.38  -0.16  -0.43     0.06   0.26   0.16    -0.06   0.00  -0.04
    17   1    -0.29  -0.02   0.05    -0.22  -0.18  -0.61    -0.07  -0.00  -0.00
    18   8     0.04   0.00  -0.01     0.00   0.01  -0.00    -0.01  -0.01   0.00
    19   8    -0.03  -0.02  -0.05    -0.04  -0.00  -0.07     0.02   0.01   0.02
    20   1    -0.03  -0.01  -0.06    -0.07  -0.03  -0.27     0.05   0.03   0.19
    21   6     0.01  -0.00   0.00     0.02   0.01   0.00    -0.04   0.04  -0.01
    22   6     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    23   6    -0.01   0.01  -0.00     0.01  -0.02   0.00     0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.06  -0.02  -0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.04   0.03   0.00
    26   1    -0.04   0.01  -0.00     0.04  -0.01   0.00     0.34  -0.01   0.03
    27   1     0.04  -0.04   0.01    -0.00   0.03  -0.00    -0.42   0.44  -0.08
    28   1    -0.06  -0.01  -0.00     0.03  -0.01   0.00    -0.07  -0.09   0.00
    29   1     0.00  -0.00   0.00     0.01   0.01  -0.00    -0.01   0.01  -0.01
    30   1     0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.02  -0.00
    31   1    -0.01  -0.00   0.00     0.01   0.01   0.00     0.00  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5447              1177.3261              1184.8988
 Red. masses --      1.2709                 2.2582                 1.5629
 Frc consts  --      1.0295                 1.8442                 1.2928
 IR Inten    --      0.9501                54.7240                34.9415
 RamAct Fr= 1--      0.5663                40.0421                 1.9914
  Dep-P Fr= 1--      0.7398                 0.4775                 0.4286
  Dep-U Fr= 1--      0.8504                 0.6464                 0.6000
 Alpha2 Fr= 1--      0.0001                 0.2188                 0.0133
 Beta2  Fr= 1--      0.0803                 4.3136                 0.1991
 AlphaG Fr= 1--     -0.0115                -0.1840                -0.0013
 Gamma2 Fr= 1--     -0.2000               -16.4062                -0.0835
 Delta2 Fr= 1--     -0.0733                -6.6379                 0.1551
 Raman1 Fr= 1--       2.265                160.168                  7.966
 ROA1   Fr= 1--     -21.546              -1787.405                 -3.054
 CID1   Fr= 1--      -9.511                -11.160                 -0.383
 Raman2 Fr= 1--       0.963                 51.764                  2.390
 ROA2   Fr= 1--      -4.214               -340.645                 -3.244
 CID2   Fr= 1--      -4.375                 -6.581                 -1.358
 Raman3 Fr= 1--       1.926                103.527                  4.779
 ROA3   Fr= 1--     -21.546              -1787.405                 -3.054
 CID3   Fr= 1--     -11.184                -17.265                 -0.639
 RC180  Fr= 1--       0.701                  0.293                  0.200
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.02  -0.00     0.01   0.03  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.03  -0.00    -0.08  -0.05  -0.00
     3   6     0.00  -0.00   0.00     0.02  -0.01  -0.01     0.03   0.02   0.00
     4   6     0.00  -0.00  -0.00    -0.05   0.01   0.02     0.01  -0.03   0.00
     5   6    -0.00   0.00   0.00    -0.02   0.01  -0.01     0.05  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.02  -0.03   0.00    -0.02   0.05  -0.01
     7   6     0.00  -0.00   0.00     0.02  -0.02   0.00     0.05  -0.03   0.01
     8   1    -0.00  -0.00  -0.00     0.18   0.03   0.05    -0.01   0.01  -0.00
     9   1    -0.00   0.00  -0.00    -0.13   0.12  -0.00     0.33  -0.30   0.06
    10   1     0.00  -0.00  -0.00     0.15  -0.01   0.02    -0.21   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.01  -0.06  -0.09    -0.03   0.01   0.00
    12   6     0.00  -0.00  -0.00     0.01   0.07   0.01     0.01  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.04  -0.01   0.24     0.00  -0.00   0.01
    14   1    -0.00   0.00   0.00     0.17  -0.08  -0.29    -0.06   0.01  -0.03
    15   1     0.00   0.00   0.00    -0.04  -0.11  -0.03     0.02   0.03   0.05
    16   1    -0.00   0.00  -0.00     0.03  -0.11  -0.03    -0.03   0.01  -0.03
    17   1    -0.00  -0.00  -0.00     0.14   0.08   0.21    -0.03  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.06   0.02  -0.02     0.01   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.08  -0.02  -0.06    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.01    -0.16  -0.08  -0.62    -0.01  -0.00  -0.02
    21   6    -0.00   0.00   0.00    -0.02   0.02  -0.00    -0.06  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.02  -0.01   0.00    -0.06   0.05  -0.01
    23   6     0.00  -0.00  -0.00     0.01  -0.02   0.00    -0.04  -0.03   0.00
    24   8    -0.01   0.01   0.06    -0.03  -0.01  -0.00     0.05   0.05  -0.00
    25   6     0.01  -0.01  -0.14     0.01   0.02  -0.00     0.02  -0.10   0.01
    26   1     0.00  -0.00  -0.00     0.23   0.03   0.02     0.44   0.05   0.03
    27   1    -0.00   0.00   0.01    -0.22   0.23  -0.04    -0.25   0.20  -0.04
    28   1    -0.00   0.00   0.01    -0.06  -0.04   0.00     0.27   0.04   0.02
    29   1     0.44   0.48   0.17     0.02   0.01  -0.00    -0.25  -0.01   0.04
    30   1    -0.47  -0.44   0.19     0.01  -0.00   0.01    -0.24  -0.02  -0.07
    31   1    -0.02   0.03   0.28    -0.03  -0.04   0.01     0.30   0.31  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.0584              1200.7887              1213.9668
 Red. masses --      1.4851                 1.3469                 1.6612
 Frc consts  --      1.2371                 1.1442                 1.4424
 IR Inten    --     38.3792                28.9384                30.9831
 RamAct Fr= 1--      2.5087                71.5815                61.2527
  Dep-P Fr= 1--      0.7366                 0.2519                 0.2680
  Dep-U Fr= 1--      0.8483                 0.4024                 0.4228
 Alpha2 Fr= 1--      0.0006                 0.8440                 0.6898
 Beta2  Fr= 1--      0.3547                 4.8003                 4.3158
 AlphaG Fr= 1--      0.0002                -0.0201                -0.0559
 Gamma2 Fr= 1--      4.3091                 4.6913                -2.0051
 Delta2 Fr= 1--      0.3594                 3.0591                -0.3219
 Raman1 Fr= 1--      10.035                286.326                245.011
 ROA1   Fr= 1--     425.171                548.261               -202.790
 CID1   Fr= 1--      42.370                  1.915                 -0.828
 Raman2 Fr= 1--       4.256                 57.604                 51.790
 ROA2   Fr= 1--     100.543                 88.119                -45.547
 CID2   Fr= 1--      23.621                  1.530                 -0.879
 Raman3 Fr= 1--       8.513                115.208                103.580
 ROA3   Fr= 1--     425.171                548.261               -202.790
 CID3   Fr= 1--      49.945                  4.759                 -1.958
 RC180  Fr= 1--       0.697                 -0.195                 -0.154
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.04  -0.00    -0.05  -0.02  -0.00    -0.01   0.02  -0.00
     2   6    -0.10  -0.01  -0.01    -0.02  -0.02   0.00    -0.09  -0.04  -0.00
     3   6     0.01  -0.02   0.00     0.02   0.03   0.00     0.03   0.00   0.00
     4   6    -0.04  -0.01  -0.00    -0.07   0.01  -0.01     0.10  -0.06   0.01
     5   6    -0.04   0.03  -0.01     0.00  -0.02   0.00     0.04   0.02   0.00
     6   6     0.06   0.01   0.00    -0.00   0.00  -0.00    -0.01   0.06  -0.01
     7   6     0.03   0.02   0.00     0.03   0.03  -0.00     0.00  -0.00   0.00
     8   1     0.31   0.05   0.01     0.45   0.13   0.01    -0.36  -0.09  -0.02
     9   1    -0.23   0.24  -0.05     0.24  -0.27   0.04     0.12  -0.06   0.02
    10   1     0.65   0.14   0.04    -0.16  -0.03  -0.01    -0.07   0.05  -0.01
    11   6     0.02   0.01   0.02     0.04   0.01   0.03    -0.07   0.02  -0.02
    12   6    -0.01  -0.02  -0.00    -0.01  -0.03  -0.00     0.03   0.02  -0.00
    13   6    -0.00  -0.01  -0.02    -0.00  -0.01  -0.04     0.01   0.00   0.03
    14   1     0.16   0.01   0.02     0.22   0.01   0.06    -0.31   0.01  -0.08
    15   1     0.00   0.01  -0.01     0.01   0.03  -0.02     0.02   0.01   0.07
    16   1     0.01   0.02   0.02     0.02   0.04   0.04    -0.06  -0.01  -0.06
    17   1    -0.01  -0.02  -0.05    -0.01  -0.03  -0.08    -0.04   0.02   0.06
    18   8    -0.01  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.01  -0.01
    19   8     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.00  -0.01
    20   1     0.02   0.02   0.08     0.03   0.02   0.10    -0.02  -0.01  -0.09
    21   6     0.00   0.02  -0.00    -0.02   0.03  -0.01    -0.01   0.02  -0.00
    22   6    -0.06  -0.02  -0.00     0.05  -0.04   0.01    -0.01  -0.04   0.00
    23   6     0.02  -0.01   0.00     0.01   0.01   0.00     0.00   0.00  -0.00
    24   8     0.05   0.01   0.00    -0.02  -0.03   0.00     0.06  -0.03   0.01
    25   6    -0.03  -0.03   0.00    -0.03   0.07  -0.01    -0.08   0.06  -0.01
    26   1     0.14   0.05   0.01     0.38   0.11   0.02    -0.11  -0.03  -0.01
    27   1     0.13  -0.11   0.02    -0.24   0.27  -0.05    -0.04   0.05  -0.01
    28   1     0.46   0.10   0.03    -0.12  -0.03  -0.01     0.41   0.10   0.02
    29   1     0.00  -0.01   0.01     0.20   0.00  -0.03     0.31  -0.01  -0.03
    30   1     0.01  -0.01  -0.01     0.19   0.01   0.06     0.30  -0.00   0.08
    31   1     0.02   0.04  -0.00    -0.25  -0.27   0.01    -0.36  -0.35   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1280.1118              1284.2062              1296.2470
 Red. masses --      2.4248                 1.5381                 1.7678
 Frc consts  --      2.3411                 1.4946                 1.7501
 IR Inten    --     45.4043                31.7148                24.1869
 RamAct Fr= 1--      8.7097                 8.4116                 4.7762
  Dep-P Fr= 1--      0.4185                 0.6898                 0.4809
  Dep-U Fr= 1--      0.5901                 0.8164                 0.6495
 Alpha2 Fr= 1--      0.0603                 0.0089                 0.0257
 Beta2  Fr= 1--      0.8566                 1.1446                 0.5170
 AlphaG Fr= 1--     -0.0551                 0.0025                 0.0083
 Gamma2 Fr= 1--      0.8219                -6.3934                14.3127
 Delta2 Fr= 1--      0.1931                 0.0694                -0.4355
 Raman1 Fr= 1--      34.839                 33.646                 19.105
 ROA1   Fr= 1--      85.078               -611.546               1360.079
 CID1   Fr= 1--       2.442                -18.176                 71.191
 Raman2 Fr= 1--      10.279                 13.735                  6.204
 ROA2   Fr= 1--      18.180               -153.997                346.988
 CID2   Fr= 1--       1.769                -11.212                 55.928
 Raman3 Fr= 1--      20.557                 27.470                 12.408
 ROA3   Fr= 1--      85.078               -611.546               1360.079
 CID3   Fr= 1--       4.139                -22.262                109.609
 RC180  Fr= 1--       0.180                  0.633                  0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22   0.06   0.01     0.02   0.05  -0.00    -0.05   0.13  -0.02
     2   6     0.01   0.02  -0.00    -0.00   0.03  -0.00    -0.03   0.14  -0.02
     3   6    -0.04  -0.00  -0.00     0.03   0.03   0.00     0.03  -0.06   0.01
     4   6    -0.15   0.13  -0.02     0.01  -0.08  -0.00    -0.03   0.01   0.00
     5   6    -0.00   0.00  -0.00     0.01   0.01  -0.00     0.03  -0.01   0.00
     6   6    -0.02  -0.06   0.01    -0.00  -0.01   0.00    -0.02  -0.06   0.01
     7   6     0.02  -0.05   0.01     0.00  -0.03   0.00    -0.02  -0.05   0.00
     8   1    -0.37  -0.07  -0.02     0.19   0.07  -0.01     0.45   0.03   0.04
     9   1     0.12  -0.14   0.02    -0.08   0.10  -0.01     0.08  -0.07   0.01
    10   1     0.34   0.01   0.03    -0.21  -0.05  -0.01    -0.35  -0.14  -0.02
    11   6     0.07  -0.03   0.01    -0.14   0.03   0.05     0.03  -0.01  -0.04
    12   6    -0.03  -0.01  -0.00     0.05  -0.00  -0.02    -0.01  -0.02   0.01
    13   6    -0.00  -0.00   0.01     0.02  -0.05   0.04    -0.01   0.02  -0.04
    14   1     0.37  -0.02   0.06     0.63  -0.01  -0.39    -0.09   0.02   0.29
    15   1    -0.02   0.00  -0.04     0.03  -0.00   0.14     0.02   0.05  -0.02
    16   1     0.07  -0.00   0.05    -0.11   0.01  -0.10     0.03   0.04   0.05
    17   1     0.07  -0.01  -0.02    -0.13   0.00   0.04     0.02  -0.02  -0.04
    18   8    -0.02  -0.01   0.00    -0.02   0.00  -0.01     0.02   0.00   0.01
    19   8     0.01   0.00  -0.02     0.01   0.01  -0.04    -0.01  -0.00   0.03
    20   1     0.04   0.02   0.17     0.07   0.05   0.39    -0.05  -0.03  -0.28
    21   6    -0.05  -0.04   0.00    -0.00  -0.01   0.00     0.04  -0.00   0.00
    22   6    -0.05   0.03  -0.01    -0.00  -0.01   0.00    -0.00  -0.03   0.00
    23   6    -0.07  -0.02  -0.00     0.01  -0.00   0.00     0.03  -0.06   0.01
    24   8     0.07  -0.01   0.01    -0.01   0.00  -0.00    -0.01   0.01  -0.00
    25   6    -0.04   0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    26   1    -0.26  -0.13  -0.01    -0.26  -0.09  -0.01    -0.39  -0.13  -0.02
    27   1    -0.32   0.24  -0.05    -0.00  -0.00   0.00     0.03   0.01   0.00
    28   1     0.29   0.07   0.02     0.07   0.01   0.01     0.47   0.05   0.03
    29   1     0.11  -0.00  -0.00    -0.01   0.00   0.00    -0.02   0.00   0.00
    30   1     0.11  -0.00   0.02    -0.01   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.11  -0.11   0.00     0.02   0.01  -0.00     0.02   0.01  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.7568              1310.3905              1340.5377
 Red. masses --      2.5313                 1.6577                 1.7942
 Frc consts  --      2.5467                 1.6771                 1.8997
 IR Inten    --    237.6773               173.7708               124.7663
 RamAct Fr= 1--     23.9727                 6.5752                 5.6105
  Dep-P Fr= 1--      0.1954                 0.2981                 0.5944
  Dep-U Fr= 1--      0.3269                 0.4593                 0.7456
 Alpha2 Fr= 1--      0.3296                 0.0678                 0.0162
 Beta2  Fr= 1--      1.3059                 0.5033                 0.6972
 AlphaG Fr= 1--     -0.0879                 0.0920                -0.0263
 Gamma2 Fr= 1--     -0.7189                -4.4545                -1.1782
 Delta2 Fr= 1--      0.6649                -1.2962                 1.5585
 Raman1 Fr= 1--      95.891                 26.301                 22.442
 ROA1   Fr= 1--     -47.738               -469.109                -63.234
 CID1   Fr= 1--      -0.498                -17.836                 -2.818
 Raman2 Fr= 1--      15.671                  6.040                  8.367
 ROA2   Fr= 1--     -22.574                -96.538                -40.745
 CID2   Fr= 1--      -1.440                -15.984                 -4.870
 Raman3 Fr= 1--      31.343                 12.079                 16.734
 ROA3   Fr= 1--     -47.738               -469.109                -63.234
 CID3   Fr= 1--      -1.523                -38.836                 -3.779
 RC180  Fr= 1--      -0.346                 -0.081                  0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03   0.01    -0.05   0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.12  -0.08  -0.00    -0.04   0.02  -0.01    -0.01  -0.01   0.00
     3   6     0.02   0.04  -0.00     0.01  -0.05   0.01     0.01   0.01  -0.01
     4   6    -0.02  -0.02  -0.00     0.00   0.06  -0.00     0.01  -0.03   0.02
     5   6    -0.00   0.04  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.00    -0.01  -0.01   0.00     0.01   0.01  -0.00
     7   6     0.02   0.09  -0.01    -0.01   0.02  -0.00     0.00   0.00  -0.00
     8   1    -0.25  -0.02  -0.02     0.03  -0.05   0.00    -0.01   0.02   0.04
     9   1     0.17  -0.14   0.03     0.16  -0.17   0.03    -0.02   0.03   0.01
    10   1     0.34   0.11   0.02     0.03  -0.00   0.01    -0.04   0.00  -0.00
    11   6    -0.03   0.01  -0.01     0.10  -0.02   0.04    -0.02   0.01  -0.17
    12   6     0.01  -0.02   0.00    -0.03   0.05  -0.02     0.01  -0.05   0.05
    13   6    -0.00  -0.01  -0.04     0.00   0.01   0.09     0.00   0.04   0.15
    14   1     0.19   0.03   0.14    -0.44  -0.08  -0.42     0.07   0.11   0.75
    15   1     0.03   0.06   0.05    -0.08  -0.11  -0.08     0.08   0.14  -0.06
    16   1    -0.02   0.06   0.01     0.05  -0.14  -0.04    -0.02   0.12   0.08
    17   1    -0.05  -0.02  -0.03     0.13   0.06   0.11    -0.04  -0.06  -0.18
    18   8     0.02   0.01   0.01    -0.04  -0.02  -0.01    -0.02  -0.01  -0.02
    19   8    -0.01   0.00   0.04     0.02   0.00  -0.08     0.01  -0.01  -0.08
    20   1    -0.05  -0.02  -0.26     0.12   0.06   0.61     0.08   0.06   0.49
    21   6     0.02  -0.03   0.01     0.03  -0.00   0.00    -0.00   0.00  -0.00
    22   6     0.18  -0.14   0.03     0.06  -0.04   0.01     0.01  -0.01   0.00
    23   6     0.02   0.04  -0.00     0.02  -0.02   0.00     0.01   0.01  -0.00
    24   8    -0.14   0.04  -0.02    -0.05   0.01  -0.01    -0.01   0.00  -0.00
    25   6     0.09   0.00   0.01     0.03   0.00   0.00     0.00   0.00   0.00
    26   1    -0.45  -0.02  -0.04    -0.09   0.01  -0.01    -0.01   0.00   0.00
    27   1    -0.23   0.24  -0.04    -0.00   0.04  -0.00     0.00  -0.00   0.00
    28   1     0.14   0.06   0.00     0.15   0.01   0.01    -0.04  -0.00  -0.00
    29   1    -0.26  -0.00  -0.00    -0.08   0.00  -0.00    -0.01   0.00   0.00
    30   1    -0.26  -0.00  -0.04    -0.08   0.00  -0.01    -0.01   0.00  -0.00
    31   1     0.08   0.01   0.01     0.03   0.01   0.00     0.01   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1383.0869              1402.2030              1416.1768
 Red. masses --      2.5203                 2.6303                 2.0517
 Frc consts  --      2.8406                 3.0471                 2.4244
 IR Inten    --     14.1464                 4.9147                 5.2270
 RamAct Fr= 1--    105.0860                69.2774               368.8355
  Dep-P Fr= 1--      0.2178                 0.1761                 0.2215
  Dep-U Fr= 1--      0.3577                 0.2994                 0.3627
 Alpha2 Fr= 1--      1.3607                 1.0017                 4.7279
 Beta2  Fr= 1--      6.2646                 3.4570                22.2970
 AlphaG Fr= 1--      0.2758                -0.2525                -1.4413
 Gamma2 Fr= 1--      2.6959                 0.3715                -7.0591
 Delta2 Fr= 1--     -1.4118                -2.3268                 0.6526
 Raman1 Fr= 1--     420.344                277.110               1475.342
 ROA1   Fr= 1--     213.624                -38.790               -656.788
 CID1   Fr= 1--       0.508                 -0.140                 -0.445
 Raman2 Fr= 1--      75.175                 41.484                267.564
 ROA2   Fr= 1--      75.995                 27.531               -174.639
 CID2   Fr= 1--       1.011                  0.664                 -0.653
 Raman3 Fr= 1--     150.351                 82.967                535.128
 ROA3   Fr= 1--     213.624                -38.790               -656.788
 CID3   Fr= 1--       1.421                 -0.468                 -1.227
 RC180  Fr= 1--      -0.285                 -0.401                 -0.275
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.13  -0.02    -0.05  -0.06   0.00     0.02  -0.13   0.02
     2   6    -0.05  -0.06   0.00    -0.07   0.12  -0.02    -0.03   0.13  -0.02
     3   6     0.08  -0.07   0.02     0.11   0.02   0.01    -0.06  -0.03  -0.00
     4   6     0.04   0.08  -0.01    -0.03   0.04  -0.01     0.07   0.10  -0.01
     5   6     0.00   0.04  -0.00    -0.07   0.05  -0.01     0.07  -0.05   0.01
     6   6    -0.07  -0.02  -0.00     0.02  -0.08   0.01    -0.10  -0.02  -0.01
     7   6    -0.14  -0.05  -0.01     0.11  -0.05   0.01    -0.01   0.02  -0.00
     8   1    -0.08  -0.12   0.00    -0.49  -0.12  -0.03    -0.10  -0.05  -0.00
     9   1     0.32  -0.29   0.06     0.28  -0.34   0.06     0.07  -0.03   0.02
    10   1     0.46   0.10   0.03    -0.05  -0.11   0.01     0.03   0.01  -0.00
    11   6    -0.06  -0.02  -0.01    -0.01  -0.01   0.00    -0.04  -0.01  -0.00
    12   6     0.01  -0.01  -0.01    -0.02  -0.02  -0.03     0.06   0.04   0.10
    13   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    14   1     0.32  -0.00   0.05     0.15  -0.01   0.02     0.23  -0.01   0.00
    15   1     0.02   0.03   0.06     0.02   0.11   0.15    -0.01  -0.25  -0.45
    16   1     0.01   0.07   0.02     0.12   0.09   0.09    -0.39  -0.19  -0.26
    17   1    -0.03  -0.01   0.05     0.08  -0.01   0.14    -0.25   0.00  -0.39
    18   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.01  -0.02    -0.00  -0.00  -0.02
    21   6     0.05  -0.03   0.01    -0.13   0.11  -0.02    -0.01   0.03  -0.00
    22   6     0.10   0.17  -0.01    -0.07  -0.07   0.00     0.02  -0.03   0.00
    23   6     0.01  -0.10   0.01     0.19   0.03   0.01     0.03  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00    -0.01   0.00  -0.00
    25   6    -0.00   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00   0.00
    26   1     0.26   0.04   0.02    -0.02  -0.09   0.01     0.23   0.08   0.01
    27   1     0.30  -0.28   0.05     0.23  -0.28   0.05     0.06  -0.04   0.01
    28   1    -0.18  -0.16   0.00    -0.29  -0.08  -0.02     0.16   0.00   0.01
    29   1     0.02  -0.03  -0.03     0.08   0.01   0.02    -0.03  -0.01  -0.01
    30   1     0.01  -0.02   0.04     0.08   0.01  -0.00    -0.03  -0.00   0.00
    31   1    -0.07  -0.06   0.00     0.10   0.15  -0.01    -0.01  -0.02   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1420.1996              1456.8193              1480.0713
 Red. masses --      1.8494                 3.5640                 1.2120
 Frc consts  --      2.1978                 4.4566                 1.5643
 IR Inten    --     10.1416                 1.7040                 7.8094
 RamAct Fr= 1--    197.6876               210.3356                 8.6407
  Dep-P Fr= 1--      0.2008                 0.2797                 0.4483
  Dep-U Fr= 1--      0.3345                 0.4371                 0.6191
 Alpha2 Fr= 1--      2.6787                 2.2905                 0.0533
 Beta2  Fr= 1--     11.0206                15.3236                 0.8916
 AlphaG Fr= 1--     -0.8831                 0.2407                -0.0390
 Gamma2 Fr= 1--     -1.7202                -4.5224                 0.4507
 Delta2 Fr= 1--      2.0658                 1.2196                -0.1110
 Raman1 Fr= 1--     790.750                841.342                 34.563
 ROA1   Fr= 1--     -99.039               -395.118                 39.715
 CID1   Fr= 1--      -0.125                 -0.470                  1.149
 Raman2 Fr= 1--     132.248                183.883                 10.699
 ROA2   Fr= 1--     -57.812               -118.293                 11.705
 CID2   Fr= 1--      -0.437                 -0.643                  1.094
 Raman3 Fr= 1--     264.495                367.765                 21.398
 ROA3   Fr= 1--     -99.039               -395.118                 39.715
 CID3   Fr= 1--      -0.374                 -1.074                  1.856
 RC180  Fr= 1--      -0.331                 -0.126                  0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.11   0.01    -0.16   0.01  -0.01    -0.02  -0.00  -0.00
     2   6     0.00   0.09  -0.01     0.18  -0.03   0.02     0.01  -0.01   0.00
     3   6    -0.08  -0.03  -0.00     0.13  -0.04   0.02    -0.02  -0.01  -0.00
     4   6     0.08   0.07  -0.00     0.03   0.16  -0.01     0.03   0.01   0.00
     5   6     0.08  -0.06   0.01    -0.14  -0.03  -0.01     0.01   0.01  -0.00
     6   6    -0.08   0.01  -0.01     0.14  -0.01   0.01    -0.03  -0.00  -0.00
     7   6    -0.03   0.03  -0.01    -0.11   0.02  -0.01    -0.00   0.03  -0.00
     8   1    -0.01  -0.02  -0.00    -0.46  -0.19  -0.02     0.05   0.00   0.00
     9   1    -0.07   0.10  -0.02    -0.01  -0.20   0.02     0.05  -0.04   0.01
    10   1    -0.02   0.03  -0.01    -0.25  -0.11  -0.01     0.09   0.03   0.00
    11   6    -0.04   0.00  -0.01    -0.05  -0.03  -0.00    -0.01  -0.00  -0.00
    12   6    -0.04  -0.05  -0.10     0.01   0.00   0.01     0.00  -0.00  -0.00
    13   6     0.01  -0.00   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.16   0.01   0.04     0.36  -0.02   0.03     0.01  -0.00   0.00
    15   1     0.01   0.22   0.47    -0.01  -0.05  -0.01     0.00  -0.01  -0.03
    16   1     0.38   0.27   0.28    -0.02   0.00  -0.01    -0.02   0.07   0.00
    17   1     0.15  -0.01   0.43    -0.07   0.00  -0.02    -0.03   0.00   0.05
    18   8    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.01  -0.00   0.03    -0.01   0.01  -0.02    -0.00  -0.00  -0.00
    21   6     0.02   0.00   0.00     0.13   0.02   0.01     0.04  -0.04   0.01
    22   6     0.02  -0.02   0.00    -0.07  -0.16   0.01     0.01  -0.01   0.00
    23   6    -0.02  -0.02   0.00    -0.13   0.06  -0.02     0.01   0.01   0.00
    24   8    -0.01   0.01  -0.00     0.02   0.04  -0.00    -0.04  -0.01  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.02   0.00    -0.08  -0.06  -0.00
    26   1     0.22   0.09   0.01     0.19   0.10   0.00    -0.09   0.02  -0.01
    27   1    -0.00   0.04  -0.00    -0.04   0.23  -0.03    -0.14   0.15  -0.03
    28   1     0.22   0.04   0.01     0.33   0.19   0.01    -0.04  -0.01  -0.00
    29   1    -0.05  -0.01  -0.01    -0.05   0.05   0.04     0.44   0.24   0.18
    30   1    -0.05  -0.00  -0.00    -0.05   0.04  -0.05     0.48   0.20  -0.15
    31   1    -0.03  -0.05   0.00     0.01  -0.02   0.00     0.30   0.49  -0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.0570              1496.0769              1497.9596
 Red. masses --      1.0536                 1.0466                 1.0531
 Frc consts  --      1.3819                 1.3801                 1.3922
 IR Inten    --      7.7115                 8.0834                 6.9190
 RamAct Fr= 1--      4.5691                10.4673                 6.8601
  Dep-P Fr= 1--      0.7496                 0.7500                 0.5756
  Dep-U Fr= 1--      0.8569                 0.8571                 0.7307
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0225
 Beta2  Fr= 1--      0.6525                 1.4953                 0.8354
 AlphaG Fr= 1--      0.0001                 0.0001                 0.0970
 Gamma2 Fr= 1--      1.0364                -0.0827                 3.1294
 Delta2 Fr= 1--     -1.0488                 0.0459                 2.1514
 Raman1 Fr= 1--      18.276                 41.869                 27.440
 ROA1   Fr= 1--      65.929                 -6.474                369.269
 CID1   Fr= 1--       3.607                 -0.155                 13.457
 Raman2 Fr= 1--       7.830                 17.944                 10.025
 ROA2   Fr= 1--      33.263                 -2.353                 57.895
 CID2   Fr= 1--       4.248                 -0.131                  5.775
 Raman3 Fr= 1--      15.661                 35.888                 20.050
 ROA3   Fr= 1--      65.929                 -6.474                369.269
 CID3   Fr= 1--       4.210                 -0.180                 18.417
 RC180  Fr= 1--       0.714                  0.714                  0.461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     2   6     0.02   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.00
     5   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
     9   1     0.02  -0.02   0.00    -0.00   0.00   0.00    -0.02   0.02  -0.02
    10   1     0.03  -0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6     0.02  -0.02   0.01     0.00  -0.00   0.00    -0.03  -0.00   0.02
    12   6     0.02  -0.05  -0.00    -0.00  -0.00   0.00    -0.04  -0.02   0.02
    13   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.05  -0.03  -0.06     0.00  -0.00  -0.00     0.04  -0.01  -0.04
    15   1     0.12   0.19  -0.45     0.00   0.00  -0.00     0.18   0.59  -0.06
    16   1    -0.41   0.55  -0.07    -0.00   0.00  -0.00    -0.20  -0.29  -0.18
    17   1    -0.02   0.00   0.49     0.00  -0.00   0.00     0.65  -0.03  -0.14
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
    24   8     0.01   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.01  -0.06    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.03   0.01   0.00
    27   1    -0.01   0.01  -0.00     0.00  -0.00  -0.02     0.01   0.00   0.00
    28   1    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.02   0.00   0.00
    29   1    -0.05  -0.01  -0.01    -0.47   0.12   0.02     0.02   0.02   0.01
    30   1    -0.05  -0.01   0.01     0.46  -0.12   0.13     0.02   0.01  -0.01
    31   1    -0.03  -0.05   0.00    -0.06   0.07   0.71     0.01   0.02  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.3767              1525.3385              1547.6485
 Red. masses --      1.0584                 2.4131                 3.3931
 Frc consts  --      1.4151                 3.3079                 4.7884
 IR Inten    --     49.2528                22.1455                80.4512
 RamAct Fr= 1--     12.6186               126.5657                13.8466
  Dep-P Fr= 1--      0.4864                 0.2643                 0.1335
  Dep-U Fr= 1--      0.6545                 0.4181                 0.2356
 Alpha2 Fr= 1--      0.0663                 1.4405                 0.2231
 Beta2  Fr= 1--      1.3765                 8.8204                 0.5436
 AlphaG Fr= 1--      0.0036                -0.0760                -0.2774
 Gamma2 Fr= 1--      0.1673                -3.6503                -1.0697
 Delta2 Fr= 1--      0.4002                 0.6182                 0.4395
 Raman1 Fr= 1--      50.474                506.263                 55.387
 ROA1   Fr= 1--      28.864               -330.649                -88.626
 CID1   Fr= 1--       0.572                 -0.653                 -1.600
 Raman2 Fr= 1--      16.518                105.844                  6.523
 ROA2   Fr= 1--       0.813                -92.554                -29.188
 CID2   Fr= 1--       0.049                 -0.874                 -4.474
 Raman3 Fr= 1--      33.036                211.689                 13.047
 ROA3   Fr= 1--      28.864               -330.649                -88.626
 CID3   Fr= 1--       0.874                 -1.562                 -6.793
 RC180  Fr= 1--       0.309                 -0.164                 -0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.07  -0.01  -0.00    -0.15  -0.03  -0.01
     2   6     0.00   0.00  -0.00     0.14   0.02   0.01    -0.11  -0.04  -0.00
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03  -0.00     0.02  -0.07   0.01
     4   6     0.01  -0.01   0.00     0.13  -0.05   0.02     0.03   0.17  -0.02
     5   6    -0.00   0.01  -0.00    -0.05   0.12  -0.02     0.03  -0.13   0.02
     6   6    -0.01  -0.01  -0.00    -0.13  -0.07  -0.00     0.08   0.08  -0.00
     7   6     0.01  -0.00   0.00     0.07   0.04   0.00     0.16   0.10   0.00
     8   1     0.02   0.00   0.00     0.25   0.04   0.02    -0.11  -0.11   0.00
     9   1     0.03  -0.02   0.01     0.37  -0.32   0.07    -0.21   0.13  -0.03
    10   1     0.04   0.00   0.00     0.45   0.05   0.03    -0.27   0.00  -0.02
    11   6    -0.00   0.00  -0.00    -0.03   0.01  -0.01    -0.02  -0.02   0.00
    12   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.03   0.02   0.01     0.19  -0.01   0.00
    15   1    -0.00  -0.01   0.02    -0.01   0.02   0.10     0.01   0.02  -0.02
    16   1     0.01  -0.02   0.00     0.07  -0.11   0.01    -0.03   0.01  -0.01
    17   1    -0.00  -0.00  -0.01     0.04  -0.00  -0.09     0.02   0.00   0.02
    18   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00  -0.01
    21   6    -0.00  -0.00   0.00     0.04  -0.06   0.01     0.03  -0.16   0.02
    22   6    -0.02   0.01  -0.00    -0.14  -0.01  -0.01    -0.07   0.17  -0.02
    23   6     0.01   0.00   0.00     0.03   0.05  -0.00     0.10  -0.04   0.01
    24   8     0.02  -0.01   0.00     0.05   0.01   0.00     0.03  -0.02   0.00
    25   6     0.03  -0.04   0.01     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1    -0.01  -0.01  -0.00    -0.25  -0.03  -0.02    -0.49  -0.04  -0.04
    27   1     0.01  -0.01   0.00    -0.24   0.24  -0.05    -0.37   0.24  -0.06
    28   1    -0.04  -0.01  -0.00    -0.13   0.02  -0.01    -0.29  -0.13  -0.01
    29   1    -0.18   0.54   0.30    -0.12  -0.17  -0.11    -0.08  -0.06  -0.05
    30   1    -0.11   0.46  -0.43    -0.14  -0.15   0.12    -0.09  -0.05   0.05
    31   1    -0.19  -0.34   0.02    -0.06  -0.11   0.01    -0.08  -0.12   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1608.9863              1653.8932              1676.7377
 Red. masses --      6.8811                 5.7627                 6.3546
 Frc consts  --     10.4958                 9.2874                10.5261
 IR Inten    --      7.1814               114.6351                58.0228
 RamAct Fr= 1--     66.7378                 4.0398               386.6773
  Dep-P Fr= 1--      0.5312                 0.7339                 0.3694
  Dep-U Fr= 1--      0.6939                 0.8465                 0.5395
 Alpha2 Fr= 1--      0.2825                 0.0011                 3.1844
 Beta2  Fr= 1--      7.7177                 0.5700                34.7686
 AlphaG Fr= 1--     -0.3642                -0.0101                -1.3987
 Gamma2 Fr= 1--      0.4361                 1.0562                -9.3639
 Delta2 Fr= 1--      0.7938                 2.8062                 0.5862
 Raman1 Fr= 1--     266.951                 16.159               1546.709
 ROA1   Fr= 1--      67.271                191.198               -880.178
 CID1   Fr= 1--       0.252                 11.832                 -0.569
 Raman2 Fr= 1--      92.613                  6.840                417.224
 ROA2   Fr= 1--       4.116                  2.900               -229.424
 CID2   Fr= 1--       0.044                  0.424                 -0.550
 Raman3 Fr= 1--     185.225                 13.680                834.448
 ROA3   Fr= 1--      67.271                191.198               -880.178
 CID3   Fr= 1--       0.363                 13.977                 -1.055
 RC180  Fr= 1--       0.388                  0.693                  0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.28  -0.03    -0.00   0.04  -0.00     0.26   0.05   0.02
     2   6     0.05  -0.28   0.03    -0.03  -0.01  -0.00    -0.25  -0.03  -0.02
     3   6    -0.14  -0.16   0.01     0.21   0.08   0.01    -0.24  -0.07  -0.01
     4   6     0.09   0.22  -0.02    -0.21  -0.07  -0.01     0.16   0.07   0.01
     5   6     0.15  -0.17   0.03     0.22  -0.09   0.03    -0.17   0.06  -0.02
     6   6    -0.13   0.10  -0.02    -0.22   0.03  -0.02     0.24   0.01   0.02
     7   6     0.12  -0.12   0.02    -0.22   0.00  -0.02    -0.24  -0.03  -0.02
     8   1     0.33  -0.05   0.03    -0.29  -0.01  -0.02     0.34   0.05   0.02
     9   1    -0.15   0.17  -0.03    -0.16   0.34  -0.05     0.09  -0.23   0.03
    10   1     0.16   0.18  -0.01     0.18   0.14  -0.00    -0.28  -0.12  -0.01
    11   6    -0.03  -0.02  -0.00     0.04   0.01   0.00    -0.02  -0.01  -0.00
    12   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.00
    14   1     0.16  -0.01   0.00    -0.09   0.00  -0.01     0.06  -0.01   0.01
    15   1     0.00   0.02  -0.01    -0.00  -0.01  -0.02    -0.00   0.01   0.01
    16   1    -0.01  -0.00  -0.00    -0.01   0.01  -0.00     0.01  -0.00   0.00
    17   1     0.02   0.00   0.01    -0.01   0.00   0.00     0.01  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00  -0.01     0.01   0.00   0.02    -0.01  -0.01  -0.03
    21   6    -0.17   0.21  -0.04     0.20  -0.06   0.02     0.15  -0.03   0.02
    22   6    -0.04  -0.24   0.02    -0.22  -0.11  -0.01    -0.14  -0.08  -0.00
    23   6     0.07   0.15  -0.01     0.23   0.10   0.01     0.23   0.06   0.01
    24   8    -0.00   0.02  -0.00     0.03   0.01   0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00   0.00     0.02   0.00   0.00
    26   1    -0.11  -0.18   0.01     0.21   0.11   0.01     0.30   0.09   0.01
    27   1     0.24  -0.23   0.04    -0.12   0.30  -0.04    -0.04   0.18  -0.02
    28   1    -0.21   0.09  -0.03    -0.32  -0.02  -0.02    -0.30  -0.06  -0.02
    29   1    -0.01   0.01   0.01    -0.06  -0.05  -0.04    -0.05  -0.04  -0.03
    30   1    -0.00   0.01  -0.02    -0.07  -0.05   0.04    -0.05  -0.03   0.03
    31   1     0.04   0.03   0.00     0.00  -0.03   0.00     0.00  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0761              3010.6353              3015.2783
 Red. masses --     10.3642                 1.0347                 1.0817
 Frc consts  --     20.6307                 5.5256                 5.7943
 IR Inten    --    430.3463                65.9884                 9.8324
 RamAct Fr= 1--     33.9337               279.4204                70.8132
  Dep-P Fr= 1--      0.3077                 0.0512                 0.1235
  Dep-U Fr= 1--      0.4706                 0.0973                 0.2198
 Alpha2 Fr= 1--      0.3400                 5.5043                 1.1701
 Beta2  Fr= 1--      2.6618                 4.5327                 2.5939
 AlphaG Fr= 1--     -1.1558                -0.3567                 0.2616
 Gamma2 Fr= 1--     -5.9111                -1.0429                -0.4905
 Delta2 Fr= 1--     -0.5037                 0.4714                 0.0085
 Raman1 Fr= 1--     135.735               1117.682                283.253
 ROA1   Fr= 1--    -583.585                -85.034                -46.811
 CID1   Fr= 1--      -4.299                 -0.076                 -0.165
 Raman2 Fr= 1--      31.942                 54.392                 31.127
 ROA2   Fr= 1--    -137.837                -28.801                -11.840
 CID2   Fr= 1--      -4.315                 -0.530                 -0.380
 Raman3 Fr= 1--      63.883                108.784                 62.254
 ROA3   Fr= 1--    -583.585                -85.034                -46.811
 CID3   Fr= 1--      -9.135                 -0.782                 -0.752
 RC180  Fr= 1--      -0.059                 -0.805                 -0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.01   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.08   0.01
    12   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    13   6     0.70   0.23  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.03   0.01   0.06    -0.00   0.02  -0.00    -0.01   0.99  -0.10
    15   1     0.03   0.02  -0.05    -0.00   0.00  -0.00     0.02  -0.00  -0.00
    16   1    -0.08  -0.05  -0.07     0.00   0.00  -0.00    -0.02  -0.01   0.02
    17   1     0.02   0.01  -0.04    -0.00  -0.00   0.00     0.00  -0.08   0.01
    18   8    -0.44  -0.14   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.06  -0.05  -0.44     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.00    -0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.02   0.01  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.03  -0.32   0.60     0.00   0.01  -0.01
    30   1     0.00   0.00  -0.00     0.06  -0.43  -0.51    -0.00   0.01   0.01
    31   1    -0.00  -0.00  -0.00    -0.24   0.16  -0.04     0.00  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.3508              3067.6207              3117.4061
 Red. masses --      1.0350                 1.1060                 1.1025
 Frc consts  --      5.6852                 6.1320                 6.3128
 IR Inten    --     16.6128                34.6576                15.5347
 RamAct Fr= 1--    201.7433                86.8417                34.7211
  Dep-P Fr= 1--      0.0282                 0.7499                 0.7471
  Dep-U Fr= 1--      0.0549                 0.8571                 0.8552
 Alpha2 Fr= 1--      4.1958                 0.0001                 0.0017
 Beta2  Fr= 1--      1.8475                12.4054                 4.9490
 AlphaG Fr= 1--      0.1729                -0.0390                 0.0108
 Gamma2 Fr= 1--      2.1310                -1.6656                -2.0083
 Delta2 Fr= 1--      3.5588                -1.2650                 2.2678
 Raman1 Fr= 1--     806.973                347.367                138.884
 ROA1   Fr= 1--     318.458               -200.381               -120.228
 CID1   Fr= 1--       0.395                 -0.577                 -0.866
 Raman2 Fr= 1--      22.170                148.864                 59.388
 ROA2   Fr= 1--      22.674                -29.855                -66.342
 CID2   Fr= 1--       1.023                 -0.201                 -1.117
 Raman3 Fr= 1--      44.340                297.729                118.776
 ROA3   Fr= 1--     318.458               -200.381               -120.228
 CID3   Fr= 1--       7.182                 -0.673                 -1.012
 RC180  Fr= 1--      -0.890                  0.714                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     9   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00    -0.03  -0.03   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00    -0.03  -0.07   0.05
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.08  -0.01
    15   1     0.45  -0.16   0.03     0.00  -0.00   0.00    -0.01  -0.02   0.01
    16   1    -0.33  -0.18   0.53    -0.00  -0.00   0.00     0.34   0.17  -0.55
    17   1     0.01   0.59  -0.05     0.00   0.00  -0.00     0.00   0.73  -0.04
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.01  -0.09    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.35   0.61     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.07   0.47   0.52     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.2042              3137.6458              3153.2692
 Red. masses --      1.1020                 1.0990                 1.0896
 Frc consts  --      6.3697                 6.3744                 6.3832
 IR Inten    --     16.3975                22.9521                10.0941
 RamAct Fr= 1--    167.5069               181.1593                59.6480
  Dep-P Fr= 1--      0.4879                 0.4336                 0.2618
  Dep-U Fr= 1--      0.6558                 0.6049                 0.4150
 Alpha2 Fr= 1--      0.8745                 1.1847                 0.6838
 Beta2  Fr= 1--     18.3081                18.2640                 4.1256
 AlphaG Fr= 1--      0.0896                 0.0718                 0.0777
 Gamma2 Fr= 1--      0.6177                -0.1165                 0.9614
 Delta2 Fr= 1--     -7.3854                 0.5269                -0.6127
 Raman1 Fr= 1--     670.028                724.637                238.592
 ROA1   Fr= 1--    -177.038                  5.674                 72.690
 CID1   Fr= 1--      -0.264                  0.008                  0.305
 Raman2 Fr= 1--     219.697                219.168                 49.507
 ROA2   Fr= 1--      73.907                 -7.012                 27.976
 CID2   Fr= 1--       0.336                 -0.032                  0.565
 Raman3 Fr= 1--     439.394                438.336                 99.013
 ROA3   Fr= 1--    -177.038                  5.674                 72.690
 CID3   Fr= 1--      -0.403                  0.013                  0.734
 RC180  Fr= 1--       0.312                  0.210                 -0.170
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.08   0.01
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.21   0.96  -0.13
     9   1     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.08   0.04   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.00  -0.03   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.00
    15   1     0.83  -0.28   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    16   1     0.17   0.10  -0.29    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.02  -0.31   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.09   0.01
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.01  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.08   0.17     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.01  -0.11  -0.15    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.79  -0.53   0.12     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3168.1672              3171.5869              3184.7926
 Red. masses --      1.0863                 1.0891                 1.0946
 Frc consts  --      6.4244                 6.4544                 6.5415
 IR Inten    --      2.6340                 9.2922                 8.8359
 RamAct Fr= 1--     55.0574                83.9588               104.6511
  Dep-P Fr= 1--      0.7470                 0.4061                 0.2041
  Dep-U Fr= 1--      0.8552                 0.5776                 0.3390
 Alpha2 Fr= 1--      0.0028                 0.6085                 1.4057
 Beta2  Fr= 1--      7.8472                 8.0823                 5.9133
 AlphaG Fr= 1--     -0.0137                -0.0557                -0.2795
 Gamma2 Fr= 1--      0.4857                -1.1414                 1.3623
 Delta2 Fr= 1--     -1.3213                 0.0542                 2.1494
 Raman1 Fr= 1--     220.230                335.835                418.604
 ROA1   Fr= 1--       4.344               -107.835                199.564
 CID1   Fr= 1--       0.020                 -0.321                  0.477
 Raman2 Fr= 1--      94.166                 96.987                 70.959
 ROA2   Fr= 1--      22.228                -27.826                 15.501
 CID2   Fr= 1--       0.236                 -0.287                  0.218
 Raman3 Fr= 1--     188.333                193.975                141.918
 ROA3   Fr= 1--       4.344               -107.835                199.564
 CID3   Fr= 1--       0.023                 -0.556                  1.406
 RC180  Fr= 1--       0.710                  0.155                 -0.322
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.04   0.04  -0.00    -0.00  -0.00  -0.00    -0.05  -0.04   0.00
     6   6     0.01  -0.06   0.01     0.00   0.00  -0.00     0.02  -0.06   0.01
     7   6     0.00  -0.00   0.00     0.02  -0.08   0.01     0.00  -0.00   0.00
     8   1     0.00  -0.02   0.00    -0.02   0.09  -0.01     0.00  -0.02   0.00
     9   1    -0.50  -0.47   0.01     0.01   0.01  -0.00     0.51   0.47  -0.01
    10   1    -0.15   0.70  -0.09     0.00  -0.01   0.00    -0.14   0.63  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
    17   1    -0.00  -0.04   0.00     0.00   0.00  -0.00     0.00   0.03  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.01   0.02  -0.00    -0.21   0.94  -0.12    -0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00    -0.13  -0.13   0.00     0.00   0.00  -0.00
    28   1     0.01  -0.05   0.01    -0.01   0.05  -0.01     0.06  -0.28   0.03
    29   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9315              3215.8617              3706.0682
 Red. masses --      1.0906                 1.0912                 1.0652
 Frc consts  --      6.5346                 6.6488                 8.6202
 IR Inten    --      6.1071                 6.8297               137.0503
 RamAct Fr= 1--    176.1633               143.4704               203.0757
  Dep-P Fr= 1--      0.2048                 0.2299                 0.2388
  Dep-U Fr= 1--      0.3399                 0.3738                 0.3856
 Alpha2 Fr= 1--      2.3623                 1.7977                 2.4829
 Beta2  Fr= 1--      9.9799                 8.9394                13.0494
 AlphaG Fr= 1--     -0.0119                -0.1052                -4.6749
 Gamma2 Fr= 1--      0.6164                -1.1265               -43.6590
 Delta2 Fr= 1--      0.8711                -0.5620                -5.9006
 Raman1 Fr= 1--     704.653                573.882                812.303
 ROA1   Fr= 1--      87.049               -126.128              -4380.081
 CID1   Fr= 1--       0.124                 -0.220                 -5.392
 Raman2 Fr= 1--     119.758                107.272                156.592
 ROA2   Fr= 1--       7.825                -22.540              -1000.610
 CID2   Fr= 1--       0.065                 -0.210                 -6.390
 Raman3 Fr= 1--     239.517                214.545                313.185
 ROA3   Fr= 1--      87.049               -126.128              -4380.081
 CID3   Fr= 1--       0.363                 -0.588                -13.986
 RC180  Fr= 1--      -0.320                 -0.252                 -0.229
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00   0.00   0.00
     8   1     0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
     9   1     0.12   0.11  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.05   0.23  -0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    17   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.01   0.01
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.96   0.21  -0.16
    21   6    -0.00   0.00  -0.00    -0.06  -0.06   0.00    -0.00   0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6     0.02  -0.08   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.01    -0.04   0.18  -0.02    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.71   0.67  -0.01     0.00   0.00   0.00
    28   1    -0.22   0.92  -0.12    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1185.959109179.664469369.68965
           X            0.99992   0.00546   0.01120
           Y           -0.00526   0.99984  -0.01704
           Z           -0.01129   0.01698   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07303     0.00944     0.00924
 Rotational constants (GHZ):           1.52176     0.19660     0.19261
 Zero-point vibrational energy     657707.9 (Joules/Mol)
                                  157.19597 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.84    60.54    72.38   107.20   179.97
          (Kelvin)            201.53   263.24   298.08   302.44   337.36
                              350.93   399.18   443.07   500.58   571.37
                              600.96   653.72   699.32   711.20   737.14
                              774.84   816.67   841.61   862.92   916.71
                              985.39  1003.11  1076.12  1120.80  1137.42
                             1167.55  1179.46  1199.07  1235.93  1292.72
                             1310.10  1349.19  1364.40  1407.58  1411.96
                             1454.92  1539.21  1565.82  1588.22  1677.56
                             1687.03  1693.91  1704.81  1710.79  1727.67
                             1746.63  1841.80  1847.69  1865.01  1880.13
                             1885.36  1928.73  1989.95  2017.46  2037.56
                             2043.35  2096.04  2129.49  2146.74  2152.52
                             2155.23  2167.34  2194.62  2226.72  2314.97
                             2379.58  2412.45  2644.58  4331.63  4338.31
                             4393.09  4413.62  4485.25  4506.54  4514.37
                             4536.85  4558.29  4563.21  4582.21  4588.16
                             4626.91  5332.21
 
 Zero-point correction=                           0.250508 (Hartree/Particle)
 Thermal correction to Energy=                    0.265772
 Thermal correction to Enthalpy=                  0.266717
 Thermal correction to Gibbs Free Energy=         0.206904
 Sum of electronic and zero-point Energies=           -767.720606
 Sum of electronic and thermal Energies=              -767.705341
 Sum of electronic and thermal Enthalpies=            -767.704397
 Sum of electronic and thermal Free Energies=         -767.764209
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.775             58.746            125.886
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.989
 Vibrational            164.997             52.785             50.695
 Vibration     1          0.593              1.984              5.988
 Vibration     2          0.595              1.980              5.159
 Vibration     3          0.595              1.977              4.805
 Vibration     4          0.599              1.966              4.030
 Vibration     5          0.610              1.928              3.020
 Vibration     6          0.615              1.913              2.803
 Vibration     7          0.630              1.863              2.298
 Vibration     8          0.641              1.830              2.068
 Vibration     9          0.642              1.825              2.042
 Vibration    10          0.654              1.788              1.844
 Vibration    11          0.659              1.773              1.774
 Vibration    12          0.678              1.715              1.549
 Vibration    13          0.698              1.659              1.373
 Vibration    14          0.726              1.579              1.176
 Vibration    15          0.764              1.476              0.973
 Vibration    16          0.781              1.432              0.900
 Vibration    17          0.813              1.351              0.783
 Vibration    18          0.842              1.281              0.694
 Vibration    19          0.850              1.263              0.672
 Vibration    20          0.867              1.223              0.628
 Vibration    21          0.894              1.165              0.568
 Vibration    22          0.924              1.101              0.509
 Vibration    23          0.942              1.064              0.476
 Vibration    24          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.677139D-95        -95.169322       -219.135462
 Total V=0       0.113797D+21         20.056130         46.180945
 Vib (Bot)       0.136524-109       -109.864791       -252.973030
 Vib (Bot)    1  0.747798D+01          0.873784          2.011963
 Vib (Bot)    2  0.491640D+01          0.691648          1.592577
 Vib (Bot)    3  0.410895D+01          0.613730          1.413167
 Vib (Bot)    4  0.276620D+01          0.441884          1.017475
 Vib (Bot)    5  0.163177D+01          0.212660          0.489667
 Vib (Bot)    6  0.145167D+01          0.161867          0.372711
 Vib (Bot)    7  0.109665D+01          0.040070          0.092264
 Vib (Bot)    8  0.959754D+00         -0.017840         -0.041079
 Vib (Bot)    9  0.944777D+00         -0.024671         -0.056806
 Vib (Bot)   10  0.838335D+00         -0.076582         -0.176338
 Vib (Bot)   11  0.802470D+00         -0.095571         -0.220061
 Vib (Bot)   12  0.693899D+00         -0.158704         -0.365430
 Vib (Bot)   13  0.614771D+00         -0.211287         -0.486505
 Vib (Bot)   14  0.531006D+00         -0.274901         -0.632982
 Vib (Bot)   15  0.449761D+00         -0.347018         -0.799039
 Vib (Bot)   16  0.421126D+00         -0.375588         -0.864822
 Vib (Bot)   17  0.376090D+00         -0.424709         -0.977928
 Vib (Bot)   18  0.342301D+00         -0.465591         -1.072063
 Vib (Bot)   19  0.334163D+00         -0.476042         -1.096127
 Vib (Bot)   20  0.317258D+00         -0.498588         -1.148041
 Vib (Bot)   21  0.294600D+00         -0.530767         -1.222135
 Vib (Bot)   22  0.271782D+00         -0.565779         -1.302754
 Vib (Bot)   23  0.259215D+00         -0.586341         -1.350099
 Vib (Bot)   24  0.249026D+00         -0.603756         -1.390198
 Vib (V=0)       0.229435D+06          5.360661         12.343377
 Vib (V=0)    1  0.799468D+01          0.902801          2.078776
 Vib (V=0)    2  0.544176D+01          0.735740          1.694103
 Vib (V=0)    3  0.463926D+01          0.666448          1.534554
 Vib (V=0)    4  0.331103D+01          0.519963          1.197258
 Vib (V=0)    5  0.220666D+01          0.343735          0.791479
 Vib (V=0)    6  0.203536D+01          0.308641          0.710673
 Vib (V=0)    7  0.170526D+01          0.231790          0.533717
 Vib (V=0)    8  0.158219D+01          0.199258          0.458808
 Vib (V=0)    9  0.156893D+01          0.195603          0.450392
 Vib (V=0)   10  0.147612D+01          0.169121          0.389415
 Vib (V=0)   11  0.144549D+01          0.160016          0.368451
 Vib (V=0)   12  0.135527D+01          0.132027          0.304004
 Vib (V=0)   13  0.129243D+01          0.111407          0.256523
 Vib (V=0)   14  0.122936D+01          0.089679          0.206494
 Vib (V=0)   15  0.117252D+01          0.069121          0.159156
 Vib (V=0)   16  0.115372D+01          0.062100          0.142990
 Vib (V=0)   17  0.112565D+01          0.051405          0.118365
 Vib (V=0)   18  0.110595D+01          0.043734          0.100701
 Vib (V=0)   19  0.110139D+01          0.041939          0.096569
 Vib (V=0)   20  0.109216D+01          0.038286          0.088157
 Vib (V=0)   21  0.108034D+01          0.033559          0.077272
 Vib (V=0)   22  0.106909D+01          0.029015          0.066810
 Vib (V=0)   23  0.106320D+01          0.026614          0.061282
 Vib (V=0)   24  0.105858D+01          0.024725          0.056930
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.361540D+07          6.558156         15.100713
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3          3333333333333                              111111111111111111111111111111111                                        
      7          2111111110000                              866655544444444333322222111111000999998888877766665555444433322222111    
      0          1887653316511                              3750420999852108410988108877608718743195321974983086319851940743108427542
      6          6952838278351                              8749856862070623107640419573648011888189301198757058924648788744073055028
 
      X          XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
      X                   X  X                              XXX X X         XXX  X  XXX    X                  X                      
      X                      X                              XXX X           XXX       X    X                  X                      
      X                                                     X X X           XXX                                                      
      X                                                     X X             XXX                                                      
      X                                                     X               XXX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000357    0.000002268   -0.000000024
      2        6           0.000000958    0.000000033   -0.000000179
      3        6           0.000000743    0.000001229    0.000000793
      4        6          -0.000000182   -0.000006096    0.000001894
      5        6           0.000000037    0.000003236   -0.000000659
      6        6           0.000001150    0.000000128   -0.000000464
      7        6          -0.000001118   -0.000000544    0.000001368
      8        1          -0.000000469   -0.000000381    0.000000168
      9        1           0.000000477   -0.000001067    0.000000353
     10        1           0.000000568   -0.000000993   -0.000000839
     11        6          -0.000002177    0.000000170   -0.000010608
     12        6          -0.000002074    0.000002703    0.000003927
     13        6           0.000004692    0.000001380    0.000016910
     14        1           0.000001650   -0.000001079    0.000001084
     15        1          -0.000000011   -0.000001231    0.000001029
     16        1           0.000000156   -0.000000097   -0.000000240
     17        1           0.000001312   -0.000000156   -0.000000323
     18        8          -0.000004776   -0.000003094   -0.000001512
     19        8          -0.000002928   -0.000003063   -0.000009739
     20        1           0.000001096    0.000000087    0.000001754
     21        6           0.000001706   -0.000000947    0.000000705
     22        6          -0.000001250    0.000001189   -0.000002346
     23        6           0.000000458   -0.000000928   -0.000000303
     24        8           0.000002398    0.000002614    0.000001941
     25        6          -0.000004462   -0.000001212   -0.000001627
     26        1           0.000000005    0.000000584   -0.000000195
     27        1           0.000001585    0.000001369   -0.000000246
     28        1           0.000000682   -0.000000217   -0.000000979
     29        1          -0.000000366    0.000001878   -0.000000565
     30        1           0.000000161    0.000001186   -0.000000153
     31        1           0.000000339    0.000001054   -0.000000924
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016910 RMS     0.000002846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.324496D+03  0.152539D+02  0.118963D+02
      2   0.152539D+02  0.172958D+03 -0.371691D+01
      3   0.118963D+02 -0.371691D+01  0.125209D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.930079D+01  0.277078D+02  0.786574D+01
      2  -0.504826D+02  0.104461D+02  0.306486D+02
      3   0.833047D+01  0.599367D+02 -0.739980D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.371727D+03 -0.110768D+02 -0.492305D+02
      2   0.151554D+03  0.158859D+02 -0.450670D+01
      3   0.220172D+03 -0.480917D+01  0.537372D+02
      4  -0.206443D+02 -0.149604D+03  0.237312D+02
      5   0.280475D+02  0.221029D+02  0.716834D+02
      6   0.575428D+01  0.461017D+02 -0.259199D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.423550D+02  0.859808D+01  0.145352D+01 -0.498109D+02 -0.447733D+01
      2   0.859808D+01  0.359269D+01  0.322782D+00 -0.447733D+01 -0.574686D+01
      3   0.145352D+01  0.322782D+00 -0.368120D+00 -0.275038D+01  0.186313D+00
                 6             7             8             9            10 
      1  -0.275038D+01  0.832089D+01  0.132382D+01  0.182397D+01 -0.331673D+02
      2   0.186313D+00  0.132382D+01  0.674942D+00 -0.114851D+01 -0.670456D+01
      3   0.189980D-02  0.182397D+01 -0.114851D+01  0.411510D+00 -0.106110D+01
                11            12            13            14            15 
      1  -0.670456D+01 -0.106110D+01  0.540660D+02  0.570012D+01  0.315508D+01
      2  -0.582885D+00 -0.288071D+00  0.570012D+01  0.676611D+01 -0.109687D+00
      3  -0.288071D+00 -0.665848D-01  0.315508D+01 -0.109687D+00 -0.214988D+00
                16            17            18            19            20 
      1  -0.852257D+01 -0.127859D+01 -0.920855D+00 -0.553522D+02 -0.103678D+02
      2  -0.127859D+01 -0.584834D+00  0.104558D+01 -0.103678D+02 -0.935774D+01
      3  -0.920855D+00  0.104558D+01 -0.170498D+00 -0.115698D+01  0.324457D+00
                21            22            23            24            25 
      1  -0.115698D+01 -0.169558D+02 -0.196185D+01  0.380142D+00 -0.269417D+01
      2   0.324457D+00 -0.196185D+01 -0.398986D+01 -0.603942D+00  0.283676D+00
      3  -0.585241D+00  0.380142D+00 -0.603942D+00 -0.202595D+01  0.955562D+00
                26            27            28            29            30 
      1   0.283676D+00  0.955562D+00  0.556853D+02  0.383732D+01  0.955074D+00
      2  -0.114473D+01 -0.364622D+01  0.383732D+01  0.595693D+01 -0.152816D-01
      3  -0.364622D+01  0.118215D+01  0.955074D+00 -0.152816D-01  0.226275D+01
                31            32            33            34            35 
      1   0.230082D+01  0.428925D+01  0.589110D+00  0.282857D+00  0.644770D+00
      2   0.428925D+01  0.135977D+02 -0.578848D+00  0.644770D+00 -0.249982D+00
      3   0.589110D+00 -0.578848D+00  0.350467D+00  0.667846D+01  0.538935D+00
                36            37            38            39            40 
      1   0.667846D+01  0.813508D+01 -0.759132D+00  0.429232D+00  0.937414D+01
      2   0.538935D+00 -0.759132D+00  0.120636D+02 -0.871130D+00  0.132456D+00
      3   0.675534D+00  0.429232D+00 -0.871130D+00  0.213928D+01  0.375573D+00
                41            42            43            44            45 
      1   0.132456D+00  0.375573D+00  0.169877D-01  0.236595D+00  0.444684D+01
      2  -0.842900D+01  0.105536D+01  0.236595D+00  0.239072D+01  0.180711D+01
      3   0.105536D+01  0.952557D+00  0.444684D+01  0.180711D+01  0.626296D+00
                46            47            48            49            50 
      1  -0.111103D+02  0.226051D+01 -0.138336D+01  0.247010D+01  0.307087D+01
      2   0.226051D+01 -0.861205D+01  0.142995D+00  0.307087D+01  0.520635D+00
      3  -0.138336D+01  0.142995D+00 -0.131794D+01 -0.272217D+00  0.884981D+00
                51            52            53            54            55 
      1  -0.272217D+00 -0.102733D+01 -0.647607D+00 -0.709633D+00  0.935235D+00
      2   0.884981D+00 -0.647607D+00  0.202597D+00  0.435444D+01 -0.347149D+01
      3   0.150597D+01 -0.709633D+00  0.435444D+01 -0.107129D+01  0.485067D+00
                56            57            58            59            60 
      1  -0.347149D+01  0.485067D+00 -0.430629D+01 -0.451786D+01  0.359155D+00
      2   0.603067D+01 -0.470568D+00 -0.451786D+01 -0.210125D+01 -0.720335D+00
      3  -0.470568D+00  0.205019D+01  0.359155D+00 -0.720335D+00 -0.144447D+01
                61            62            63            64            65 
      1   0.689380D+00  0.507695D+00 -0.344843D+00  0.362431D+00 -0.199345D+01
      2   0.507695D+00 -0.137032D+00 -0.414801D+01 -0.199345D+01  0.103225D+01
      3  -0.344843D+00 -0.414801D+01  0.132273D+01  0.287327D+00 -0.260816D+00
                66            67            68            69            70 
      1   0.287327D+00 -0.223352D+01  0.266622D+01 -0.474869D+00  0.520900D+00
      2  -0.260816D+00  0.266622D+01 -0.778571D+01  0.111105D+01 -0.527035D+00
      3   0.163698D+00 -0.474869D+00  0.111105D+01 -0.104706D+01 -0.400192D-01
                71            72            73            74            75 
      1  -0.527035D+00 -0.400192D-01  0.725357D+01  0.313260D+01  0.327646D+00
      2   0.100762D+01 -0.271261D+00  0.313260D+01  0.285451D+01 -0.181151D-01
      3  -0.271261D+00  0.231659D+00  0.327646D+00 -0.181151D-01  0.647748D+00
                76            77            78            79            80 
      1   0.441023D+01  0.407504D+01 -0.107017D+00  0.284966D+00 -0.348824D+00
      2   0.407504D+01  0.418601D+01  0.108490D-01 -0.348824D+00 -0.236970D+00
      3  -0.107017D+00  0.108490D-01  0.675357D+00 -0.278223D+00  0.290620D+00
                81            82            83            84            85 
      1  -0.278223D+00 -0.678729D+00  0.137269D+01 -0.204813D+00  0.641565D+00
      2   0.290620D+00  0.137269D+01 -0.165337D+01  0.254744D+00 -0.664608D+00
      3  -0.164016D+00 -0.204813D+00  0.254744D+00 -0.152865D+00  0.372661D-01
                86            87            88            89            90 
      1  -0.664608D+00  0.372661D-01 -0.268477D+00  0.212776D+00  0.107747D+00
      2   0.108557D+02 -0.102445D+01  0.212776D+00 -0.131048D+01  0.272018D+00
      3  -0.102445D+01  0.110715D+01  0.107747D+00  0.272018D+00 -0.170204D+00
                91            92            93            94            95 
      1  -0.204235D+02 -0.150086D+01  0.131973D+00  0.214242D+00 -0.191088D+00
      2  -0.150086D+01  0.313018D+00 -0.542363D+00 -0.191088D+00  0.494438D+01
      3   0.131973D+00 -0.542363D+00 -0.306016D+01 -0.216994D+01 -0.647759D+00
                96            97            98            99           100 
      1  -0.216994D+01  0.100481D+01 -0.128182D+01 -0.745141D+01 -0.581547D+01
      2  -0.647759D+00 -0.128182D+01 -0.388867D+00 -0.684078D+00  0.270037D+01
      3  -0.526412D+00 -0.745141D+01 -0.684078D+00  0.495784D+00 -0.182160D+01
               101           102           103           104           105 
      1   0.270037D+01 -0.182160D+01  0.758644D+01 -0.233957D+00  0.154587D+01
      2  -0.613327D+00  0.202508D+00 -0.233957D+00 -0.472430D+01 -0.151720D+00
      3   0.202508D+00  0.345231D+01  0.154587D+01 -0.151720D+00  0.240376D+01
               106           107           108           109           110 
      1   0.412928D+01  0.944599D+00  0.526024D+01 -0.752903D+01 -0.175654D+01
      2   0.944599D+00  0.416426D+00  0.180374D+01 -0.175654D+01 -0.187496D+00
      3   0.526024D+01  0.180374D+01 -0.814092D+00  0.803107D+00  0.606187D+00
               111           112           113           114           115 
      1   0.803107D+00 -0.238554D+01 -0.391238D-01  0.141853D+01 -0.102519D+02
      2   0.606187D+00 -0.391238D-01 -0.827630D+00 -0.640566D-01  0.409802D+00
      3   0.957748D+00  0.141853D+01 -0.640566D-01  0.417565D+00  0.503861D+01
               116           117           118           119           120 
      1   0.409802D+00  0.503861D+01 -0.168142D+01 -0.945278D+00  0.106175D+00
      2  -0.909643D+00  0.427433D+00 -0.945278D+00  0.410742D+00 -0.138832D-01
      3   0.427433D+00 -0.586800D+00  0.106175D+00 -0.138832D-01  0.754383D+00
               121           122           123           124           125 
      1  -0.311095D+01  0.174419D+01 -0.128446D+00 -0.394227D+00 -0.742495D-01
      2   0.174419D+01 -0.659915D+01  0.859812D+00 -0.742495D-01  0.698945D+00
      3  -0.128446D+00  0.859812D+00 -0.170846D+01  0.115676D+01 -0.967570D+00
               126           127           128           129           130 
      1   0.115676D+01  0.146414D+02 -0.161029D+01  0.357654D+01 -0.393678D+01
      2  -0.967570D+00 -0.161029D+01  0.135425D+01 -0.258319D+00  0.161472D+01
      3   0.744368D+00  0.357654D+01 -0.258319D+00  0.232835D+01 -0.120182D+01
               131           132           133           134           135 
      1   0.161472D+01 -0.120182D+01  0.125846D+01 -0.316442D+00  0.116805D+01
      2  -0.506838D+00  0.446859D+00 -0.316442D+00 -0.117427D-01 -0.442147D+00
      3   0.446859D+00 -0.115631D+01  0.116805D+01 -0.442147D+00  0.698351D+00
               136           137           138           139           140 
      1  -0.736003D+00 -0.386734D+00  0.807140D+00 -0.119698D+01  0.762136D-01
      2  -0.386734D+00 -0.514220D+00  0.182348D+00  0.762136D-01 -0.167911D+00
      3   0.807140D+00  0.182348D+00 -0.344237D+01 -0.253686D+00  0.108177D+01
               141           142           143           144           145 
      1  -0.253686D+00  0.752229D+00 -0.842952D-01 -0.372796D+00  0.893453D+00
      2   0.108177D+01 -0.842952D-01  0.108375D+01 -0.840877D+00  0.716670D+00
      3  -0.193837D+01 -0.372796D+00 -0.840877D+00  0.756994D+01  0.868050D-01
               146           147           148           149           150 
      1   0.716670D+00  0.868050D-01  0.283489D+01  0.130088D+01  0.105513D+01
      2   0.511123D+00  0.573232D-01  0.130088D+01  0.634945D+01  0.119062D+01
      3   0.573232D-01 -0.347519D+00  0.105513D+01  0.119062D+01  0.192781D+01
               151           152           153           154           155 
      1  -0.500146D+00  0.918017D-01 -0.232402D+00  0.208200D+02  0.228505D+01
      2   0.918017D-01  0.465914D-01  0.557947D+00  0.228505D+01  0.165865D+01
      3  -0.232402D+00  0.557947D+00  0.316957D+00 -0.152683D+01 -0.110470D+00
               156           157           158           159           160 
      1  -0.152683D+01  0.463374D+01  0.418838D+01 -0.734119D+00 -0.198288D+01
      2  -0.110470D+00  0.418838D+01  0.214988D+01 -0.327134D+00 -0.463791D+00
      3   0.323552D+01 -0.734119D+00 -0.327134D+00  0.902761D+00  0.248820D+01
               161           162           163           164           165 
      1  -0.463791D+00  0.248820D+01  0.148994D+02  0.772921D-01 -0.447960D+01
      2   0.326862D+00  0.610493D+00  0.772921D-01  0.693465D-01  0.523500D+00
      3   0.610493D+00  0.268511D-01 -0.447960D+01  0.523500D+00  0.110895D+01
               166           167           168           169           170 
      1   0.313431D+01 -0.925233D-01 -0.443722D+00 -0.788431D+00  0.733666D+00
      2  -0.925233D-01 -0.730731D+00 -0.159649D+01  0.733666D+00 -0.765287D+00
      3  -0.443722D+00 -0.159649D+01 -0.133205D+00  0.511732D+00 -0.106002D+01
               171           172           173           174           175 
      1   0.511732D+00 -0.119778D+02  0.121892D+00  0.241670D+01 -0.136106D+01
      2  -0.106002D+01  0.121892D+00 -0.424777D+00 -0.764447D+00  0.258619D+00
      3  -0.760181D+01  0.241670D+01 -0.764447D+00 -0.313771D+01  0.850104D-01
               176           177           178           179           180 
      1   0.258619D+00  0.850104D-01  0.706309D+01 -0.603498D+00 -0.242548D+01
      2  -0.842448D+00 -0.837243D+00 -0.603498D+00 -0.103220D+01  0.677391D-01
      3  -0.837243D+00 -0.682983D+00 -0.242548D+01  0.677391D-01 -0.369527D+00
               181           182           183           184           185 
      1  -0.626179D+01  0.148439D+00  0.434770D-01 -0.144146D+02 -0.968705D+00
      2   0.148439D+00 -0.102534D+02  0.124272D+01 -0.968705D+00  0.548477D+01
      3   0.434770D-01  0.124272D+01 -0.266302D+01 -0.134130D+01 -0.128299D+01
               186           187           188           189           190 
      1  -0.134130D+01  0.179582D+01 -0.126889D+00 -0.423888D+01 -0.382303D+02
      2  -0.128299D+01 -0.126889D+00 -0.202667D+01 -0.253859D+01 -0.476050D+01
      3  -0.118810D+01 -0.423888D+01 -0.253859D+01 -0.136141D+00 -0.124522D+01
               191           192           193           194           195 
      1  -0.476050D+01 -0.124522D+01 -0.501279D+00 -0.414801D+01 -0.211283D+00
      2  -0.984351D+01  0.375416D+00 -0.414801D+01 -0.111066D+02  0.121765D+01
      3   0.375416D+00 -0.359564D+01 -0.211283D+00  0.121765D+01  0.435851D+00
               196           197           198           199           200 
      1  -0.190750D+01 -0.696070D+00 -0.718458D+01  0.425108D+02  0.959675D+01
      2  -0.696070D+00  0.323939D+00 -0.318981D+00  0.959675D+01  0.742485D+01
      3  -0.718458D+01 -0.318981D+00 -0.131623D+01  0.159057D+01 -0.623989D+00
               201           202           203           204           205 
      1   0.159057D+01  0.154795D+02  0.301792D+01  0.594928D+00  0.189902D+01
      2  -0.623989D+00  0.301792D+01  0.481854D+01  0.413830D+00  0.706420D-01
      3   0.730973D+00  0.594928D+00  0.413830D+00  0.217669D+01  0.108712D+00
               206           207           208           209           210 
      1   0.706420D-01  0.108712D+00  0.688116D+01  0.320745D+01  0.210003D+00
      2   0.111772D+01  0.450367D+01  0.320745D+01  0.343718D+01 -0.121619D+00
      3   0.450367D+01 -0.113294D+01  0.210003D+00 -0.121619D+00 -0.936998D-01
               211           212           213           214           215 
      1  -0.441124D+01 -0.408298D+01  0.169730D+00  0.107540D+01  0.621488D+00
      2  -0.408298D+01  0.107717D+01 -0.501257D+00  0.621488D+00  0.308687D+00
      3   0.169730D+00 -0.501257D+00 -0.112336D+01 -0.280275D+00  0.701949D+00
               216           217           218           219           220 
      1  -0.280275D+00 -0.120356D+01 -0.406559D+01  0.775108D-02 -0.111102D+01
      2   0.701949D+00 -0.406559D+01 -0.466554D+00 -0.582679D+00  0.381364D+01
      3  -0.799326D-01  0.775108D-02 -0.582679D+00  0.106958D+01 -0.720744D+00
               221           222           223           224           225 
      1   0.381364D+01 -0.720744D+00 -0.533604D+00 -0.783696D+00  0.339100D+01
      2   0.147739D+01  0.128289D+01 -0.783696D+00  0.802464D+00  0.445841D+01
      3   0.128289D+01  0.617949D+01  0.339100D+01  0.445841D+01 -0.108331D+01
               226           227           228           229           230 
      1   0.254090D+00 -0.134875D+01  0.171576D+00 -0.434107D+00  0.127339D+00
      2  -0.134875D+01  0.160204D+01 -0.276408D+00  0.127339D+00 -0.102989D+02
      3   0.171576D+00 -0.276408D+00  0.147993D+00  0.200237D-01  0.106936D+01
               231           232           233           234           235 
      1   0.200237D-01  0.491840D-01 -0.115134D+00 -0.612156D-01 -0.774874D+01
      2   0.106936D+01 -0.115134D+00  0.120880D+01 -0.252833D+00 -0.336980D+01
      3  -0.108548D+01 -0.612156D-01 -0.252833D+00  0.146255D+00 -0.243778D+00
               236           237           238           239           240 
      1  -0.336980D+01 -0.243778D+00 -0.519140D+01 -0.426003D+01  0.171206D+00
      2  -0.278585D+01  0.166869D-01 -0.426003D+01 -0.424920D+01  0.604027D-01
      3   0.166869D-01 -0.396347D+00  0.171206D+00  0.604027D-01 -0.617471D+00
               241           242           243           244           245 
      1  -0.174391D+00  0.238730D+00  0.443007D+00 -0.446698D+00  0.216913D+01
      2   0.238730D+00  0.202530D+00 -0.945713D-01  0.216913D+01 -0.170048D+01
      3   0.443007D+00 -0.945713D-01  0.131453D+00 -0.220989D+00  0.306727D+00
               246           247           248           249           250 
      1  -0.220989D+00  0.280406D+01 -0.327133D+01  0.433503D+00 -0.290806D+00
      2   0.306727D+00 -0.327133D+01  0.894109D+01 -0.105230D+01  0.497531D+00
      3  -0.330808D+00  0.433503D+00 -0.105230D+01  0.115201D+01 -0.281084D+00
               251           252           253           254           255 
      1   0.497531D+00 -0.281084D+00 -0.669074D+00 -0.261008D+00  0.151166D+01
      2  -0.107227D+01  0.227665D+00 -0.261008D+00 -0.309632D-01  0.464705D+00
      3   0.227665D+00 -0.191601D+00  0.151166D+01  0.464705D+00 -0.414352D+00
               256           257           258           259           260 
      1  -0.260239D+01 -0.207043D+01  0.155864D+01  0.611890D+01  0.174134D+01
      2  -0.207043D+01 -0.192631D+01  0.148469D+01  0.174134D+01  0.179487D+01
      3   0.155864D+01  0.148469D+01 -0.256902D+01 -0.377957D+01 -0.239897D+01
               261           262           263           264           265 
      1  -0.377957D+01  0.582411D+00 -0.186461D+00 -0.882436D+00 -0.315343D+01
      2  -0.239897D+01 -0.186461D+00  0.187835D+00 -0.106970D+00 -0.245968D+01
      3   0.522690D+01 -0.882436D+00 -0.106970D+00  0.143948D+00 -0.177680D+01
               266           267           268           269           270 
      1  -0.245968D+01 -0.177680D+01 -0.432873D+01 -0.159877D+01 -0.324717D+01
      2  -0.320854D+01 -0.247455D+01 -0.159877D+01 -0.238613D+01 -0.287328D+01
      3  -0.247455D+01 -0.327840D+01 -0.324717D+01 -0.287328D+01 -0.452042D+01
               271           272           273           274           275 
      1  -0.131775D+02  0.326399D+01 -0.117464D+01  0.716729D+01 -0.263638D+01
      2   0.326399D+01 -0.147304D+01  0.302032D+00 -0.263638D+01  0.207237D+01
      3  -0.117464D+01  0.302032D+00 -0.122105D+01  0.637437D+00 -0.383676D+00
               276           277           278           279 
      1   0.637437D+00 -0.159705D+01  0.387778D+00 -0.173046D+01
      2  -0.383676D+00  0.387778D+00 -0.350660D+00  0.181817D-01
      3   0.550714D+00 -0.173046D+01  0.181817D-01 -0.397915D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.131781D+01 -0.354723D+01 -0.476256D-01 -0.336529D+01 -0.216912D+01
      2  -0.118074D+02  0.365051D+01 -0.196901D-01  0.150613D+02  0.306260D+01
      3  -0.958301D+01  0.430715D+02 -0.543358D+01  0.465299D+02  0.228453D+02
                 6             7             8             9            10 
      1  -0.253883D+00  0.433748D+01  0.709131D+01 -0.609704D+00 -0.166371D+01
      2   0.723042D-01 -0.220132D+02 -0.203043D+01 -0.157480D+01  0.146013D+02
      3   0.144880D+00 -0.175751D+01  0.162389D+01 -0.214977D+01  0.222914D+02
                11            12            13            14            15 
      1  -0.482668D+01 -0.248505D+00 -0.401629D+01  0.785743D+00  0.405031D+00
      2   0.734246D+01 -0.478266D+01 -0.864782D+01  0.100103D+01 -0.966335D-01
      3   0.527229D+02 -0.393757D+01  0.602367D+02  0.173025D+02  0.262438D+01
                16            17            18            19            20 
      1   0.314718D+01  0.674010D+01 -0.468549D+00 -0.219325D+01  0.470371D+00
      2  -0.209436D+02 -0.162752D+00 -0.159291D+01  0.213058D+02 -0.343151D+00
      3  -0.139489D+01  0.306589D+01  0.116617D+01  0.261270D+02 -0.300137D+02
                21            22            23            24            25 
      1  -0.935475D+00  0.178563D+01 -0.192326D+01 -0.275007D+01  0.445024D+01
      2  -0.668578D+00  0.502866D+01  0.574763D+00 -0.217688D+01 -0.186718D+02
      3   0.516773D+01  0.902500D+01  0.406092D+01  0.400318D+00  0.212442D+01
                26            27            28            29            30 
      1  -0.612662D+00 -0.128052D+01 -0.261415D+01 -0.866550D+00  0.666336D-01
      2  -0.728076D+01  0.469154D+00 -0.201867D+02 -0.633023D+00  0.107736D+01
      3  -0.179412D+01  0.425265D+01 -0.283838D+00  0.703829D+01 -0.122264D+01
                31            32            33            34            35 
      1  -0.458523D+01  0.580708D+01  0.175786D+01  0.211066D+01  0.140793D+02
      2   0.296510D+01 -0.113971D+01  0.199522D+01 -0.169537D+02 -0.218425D+01
      3   0.308462D+02  0.366439D+01 -0.112366D+01  0.366841D+00  0.147691D+01
                36            37            38            39            40 
      1  -0.116589D+01 -0.117563D+01  0.165526D+01 -0.508090D+01 -0.880658D+00
      2  -0.210191D+01  0.286989D+01  0.365669D+00  0.305110D+01 -0.707195D+01
      3  -0.194544D+01  0.324182D+02  0.136189D+01  0.636590D+00 -0.119997D+02
                41            42            43            44            45 
      1  -0.201071D+01  0.233880D+00 -0.156784D+02  0.919640D+01 -0.209099D+01
      2   0.133300D+01  0.290868D+00 -0.786454D+01  0.643479D+01 -0.123526D+01
      3   0.443727D+01  0.994299D+00  0.270339D+01  0.141902D+01  0.592252D+01
                46            47            48            49            50 
      1   0.378585D+01  0.129789D+01  0.459085D+01  0.253125D+01  0.103721D+01
      2  -0.450879D+01 -0.514723D+01  0.317059D+00 -0.410452D+01 -0.328307D+01
      3  -0.610833D+02 -0.343291D+02  0.502552D+00 -0.110119D+02 -0.234774D+02
                51            52            53            54            55 
      1  -0.302052D+01  0.579657D+01 -0.410057D+01  0.298636D+01  0.129715D+01
      2   0.840428D+00 -0.181052D+02  0.199775D+01 -0.192071D+01 -0.424940D+00
      3   0.570488D+00 -0.166393D+01 -0.137325D+01 -0.513875D+01 -0.321872D+02
                56            57            58            59            60 
      1   0.500397D+01  0.432202D+01 -0.204561D+00  0.101072D+01 -0.299918D+01
      2  -0.476405D+01 -0.604679D+01 -0.147519D+01 -0.663732D+00  0.336005D+01
      3  -0.359471D+02  0.372067D+01 -0.125722D+01 -0.255058D+02  0.109008D+01
                61            62            63            64            65 
      1   0.311905D+01 -0.358586D+01  0.139451D+01 -0.591785D+00  0.181236D-01
      2  -0.231553D+02  0.616483D+01 -0.428981D+01  0.332376D+00  0.480646D+00
      3   0.936845D+00 -0.233529D+01 -0.950225D+01  0.864408D+00  0.174050D-01
                66            67            68            69            70 
      1   0.836453D+00  0.623327D+00 -0.196832D+01 -0.403552D+01 -0.130794D-01
      2   0.115554D+00  0.954290D+00  0.153973D+00 -0.136360D+01 -0.212107D+01
      3   0.130115D+00  0.492880D+01  0.555403D+01 -0.642269D+00 -0.284305D+00
                71            72            73            74            75 
      1   0.260829D+01  0.446282D+00 -0.835071D+00  0.281401D+00 -0.312831D+01
      2   0.906934D+00 -0.907925D-02 -0.752507D+00 -0.729820D+00  0.245808D+01
      3  -0.751177D+00 -0.440698D+00  0.116768D+02 -0.356994D+00  0.765692D+00
                76            77            78            79            80 
      1   0.129377D+01  0.930722D+00 -0.272556D+01  0.183322D+01  0.107617D+01
      2  -0.148337D+01 -0.917613D+00  0.270864D+01 -0.262064D+01  0.260690D+00
      3   0.208249D+01 -0.179022D+01 -0.219337D+00  0.223562D+01 -0.115659D+00
                81            82            83            84            85 
      1   0.275826D+00  0.718967D+00 -0.647944D+00  0.109264D+01 -0.313926D+00
      2  -0.437557D+00 -0.426268D+00 -0.148160D-01  0.478053D+00  0.365804D+00
      3  -0.623418D+00 -0.484357D+01  0.175878D+01 -0.535346D+00  0.538352D+01
                86            87            88            89            90 
      1   0.258076D+01 -0.554570D+01 -0.112873D+01  0.198154D+01  0.356339D+00
      2  -0.326643D+00 -0.657857D+00 -0.804238D+00 -0.925076D+00  0.270556D+00
      3  -0.346399D+01  0.554371D+00 -0.106033D+01  0.100444D+01  0.986601D+00
                91            92            93            94            95 
      1  -0.147383D+01 -0.412625D+00 -0.920956D+00 -0.235001D+01  0.223549D+01
      2   0.150458D+02 -0.122430D+01 -0.630732D+01 -0.578793D+01 -0.215987D+01
      3   0.605455D+01 -0.713374D+01  0.173647D+01  0.883298D+01 -0.224375D+02
                96            97            98            99           100 
      1  -0.295274D+01 -0.403409D+01  0.308458D+01 -0.322204D+00  0.539147D+01
      2  -0.130663D+00 -0.357673D+02 -0.172896D+01  0.495949D+01  0.900832D+01
      3   0.387418D+01  0.382361D+01  0.334910D+01  0.526046D+01 -0.175299D+02
               101           102           103           104           105 
      1   0.518732D+00 -0.300965D+00 -0.180967D+01 -0.118717D+02 -0.385723D+01
      2  -0.319491D+01  0.218943D+02 -0.229019D+01  0.706960D+00  0.833003D+01
      3  -0.172275D+01 -0.264792D+01  0.390590D+01  0.249600D+02  0.873498D+00
               106           107           108           109           110 
      1   0.165083D+01  0.160336D+01  0.659237D+01  0.700945D+01  0.270377D+01
      2   0.161256D+02  0.675667D+01 -0.125058D+02 -0.155058D+02  0.950032D+00
      3  -0.463240D+01 -0.225245D+00 -0.859223D+01  0.323752D+01  0.147925D+02
               111           112           113           114           115 
      1   0.726648D+01  0.125628D+02 -0.832573D+00 -0.161539D+02  0.646294D+01
      2  -0.142596D+00  0.417055D+01 -0.816232D+00 -0.721286D+01  0.147307D+02
      3  -0.515868D+00  0.189665D+02  0.121071D+02 -0.292041D+01  0.122925D+01
               116           117           118           119           120 
      1  -0.560756D+01 -0.489702D+00 -0.428954D+00  0.485785D+00  0.213128D+00
      2  -0.134800D+01  0.656149D+00  0.144867D+01  0.465915D+00  0.312714D+01
      3  -0.228624D+01 -0.396147D+01  0.703156D+01 -0.154189D+01 -0.183102D+00
               121           122           123           124           125 
      1   0.815091D+00 -0.391044D+01 -0.238858D+01  0.272195D+00  0.872176D+00
      2   0.122453D+01  0.188653D+01 -0.535585D+01  0.199126D+01 -0.274240D+01
      3  -0.640086D+00  0.237250D+02 -0.319380D+01  0.548681D+00 -0.249640D+01
               126           127           128           129           130 
      1   0.508536D+00 -0.310658D+01  0.387561D+01 -0.170375D+00  0.315230D+01
      2   0.170278D+01 -0.107198D+02  0.197386D+01  0.724056D+01  0.183879D+01
      3   0.244437D+01  0.853208D+01 -0.920424D+01  0.151694D+01 -0.642162D+01
               131           132           133           134           135 
      1  -0.612746D+00 -0.397480D+00 -0.103522D+01  0.836862D+00 -0.987839D+00
      2  -0.950554D+00 -0.358674D+01  0.187693D+01 -0.105219D+01  0.361370D+00
      3   0.141267D+01 -0.170594D+01  0.106110D+01 -0.166284D+01  0.212212D+01
               136           137           138           139           140 
      1  -0.158584D+01 -0.264692D+01  0.724312D+00 -0.762499D+00 -0.618534D+00
      2   0.750655D+01  0.187422D+01 -0.147496D+02  0.173515D+01  0.410286D+01
      3   0.200931D+01  0.194689D+01 -0.836433D+00  0.140368D+01  0.356152D+00
               141           142           143           144           145 
      1   0.110734D+01  0.214617D-01  0.438621D+01 -0.277572D+01  0.256849D+01
      2  -0.733022D+01 -0.667073D+01 -0.371759D+01  0.308123D+02 -0.716368D+00
      3  -0.390466D+01  0.559620D+00 -0.344220D+01  0.357444D+01 -0.446757D+01
               146           147           148           149           150 
      1   0.775119D+00  0.430756D+00  0.100241D+01  0.143648D+02 -0.113322D+01
      2  -0.940111D+00 -0.107865D+01 -0.665882D+00  0.231353D+01  0.619719D+01
      3  -0.168039D+01 -0.888530D+00 -0.102501D+00 -0.279201D+02 -0.363437D+01
               151           152           153           154           155 
      1   0.667892D+00  0.792090D+00  0.116291D+01 -0.509292D+01 -0.296046D+01
      2  -0.110303D+01  0.171422D+01  0.143274D+01  0.751739D+01  0.109157D+01
      3  -0.215994D+01  0.529969D+00 -0.256798D+01 -0.137157D+02 -0.231533D+02
               156           157           158           159           160 
      1  -0.264942D+01 -0.867611D+01 -0.246337D+01  0.402522D+00 -0.278449D+00
      2   0.248703D+02 -0.411005D+01  0.157899D+01  0.826429D+01  0.617104D+01
      3   0.172994D+00 -0.175470D+02 -0.146085D+02  0.218176D+01  0.131270D+01
               161           162           163           164           165 
      1   0.339051D+01 -0.859669D+00 -0.769787D+01 -0.153169D+01 -0.248543D+00
      2   0.260971D+01  0.849102D+00  0.119370D+02  0.311340D+01  0.193782D+01
      3   0.194269D+01 -0.326045D+01 -0.103669D+02 -0.418449D+01  0.624455D+00
               166           167           168           169           170 
      1  -0.464933D+01  0.196829D+01  0.442128D+01  0.171867D+01  0.886374D+01
      2   0.450196D+01 -0.662425D+01  0.956017D+00 -0.916973D+01 -0.326503D+01
      3  -0.176474D+01  0.259220D+01  0.769020D+01 -0.799453D+00  0.346278D+01
               171           172           173           174           175 
      1  -0.370196D+01  0.667587D+01  0.156898D+01 -0.249989D+01  0.524379D+01
      2  -0.262350D+02 -0.233231D+02 -0.299171D+01 -0.682407D+01 -0.411133D+01
      3   0.437083D+01  0.104401D+02  0.248041D+01  0.163442D+00  0.613784D+01
               176           177           178           179           180 
      1  -0.695409D+00 -0.232992D+01 -0.301755D+01 -0.464990D+00  0.111678D+01
      2  -0.291414D+01 -0.175188D+01 -0.587567D+00 -0.332797D+00 -0.294572D+01
      3   0.986308D+00  0.159612D+01 -0.361683D+01 -0.399828D+00  0.157596D+01
               181           182           183           184           185 
      1   0.273930D+00 -0.386999D+01 -0.535913D+01 -0.123613D+00  0.105760D+01
      2   0.261151D+01  0.135320D+01  0.928920D+01  0.834549D+00  0.224521D+01
      3   0.170431D+02  0.814600D+01 -0.109544D+01 -0.161103D+02  0.777962D+01
               186           187           188           189           190 
      1  -0.959433D+00 -0.129774D+02  0.661472D+01 -0.259671D+01 -0.214134D+01
      2   0.286416D+01 -0.235112D+01  0.120458D+02  0.999070D-03  0.115235D+02
      3  -0.211633D+01  0.220791D+01 -0.835645D+00  0.414902D+00  0.246361D+02
               191           192           193           194           195 
      1  -0.493604D+01  0.153145D+01 -0.502839D+01 -0.928245D+00  0.298610D+01
      2   0.439188D+01  0.439292D+00  0.647297D+01  0.198287D+01  0.186910D-01
      3   0.240031D+02 -0.691661D+00  0.505457D+02  0.858743D+01  0.300686D+01
               196           197           198           199           200 
      1  -0.800867D+00  0.134518D+02 -0.173154D+01  0.344756D+00  0.466159D+01
      2   0.169045D+01 -0.502876D+01  0.232132D+01 -0.100011D+02 -0.586981D+01
      3  -0.378061D+01  0.290990D+01 -0.128524D+00 -0.256038D+01 -0.440512D+02
               201           202           203           204           205 
      1  -0.511744D+00  0.183410D+01  0.181952D+01 -0.281694D+01  0.570523D+01
      2   0.272143D+01 -0.617266D+01 -0.440232D+01 -0.441585D+01 -0.206315D+02
      3   0.348921D+01 -0.765483D+01 -0.127085D+02  0.184208D+01  0.254585D+01
               206           207           208           209           210 
      1   0.131901D+01  0.934466D+00  0.205143D+01  0.435644D+01 -0.175428D+01
      2  -0.162581D+02  0.177368D+01 -0.380978D+01 -0.384661D+01  0.157145D+02
      3   0.434666D+00  0.837875D+01 -0.147964D+02 -0.444310D+02  0.155146D+01
               211           212           213           214           215 
      1  -0.437128D+00 -0.161356D+01 -0.476310D+01 -0.283905D+01 -0.135683D+01
      2  -0.464660D+00  0.292228D+01  0.527428D+01 -0.559514D+01 -0.154804D+01
      3  -0.371978D+01  0.141901D+02 -0.233623D+01 -0.733614D+00 -0.496361D+01
               216           217           218           219           220 
      1   0.273030D+00  0.278586D+00 -0.173761D+01  0.167836D+01 -0.110188D+01
      2   0.755385D+00  0.743177D-01  0.445168D+01 -0.775743D+01  0.468826D+01
      3   0.312005D+01 -0.269769D+02  0.164103D+02 -0.561574D+01  0.356561D+02
               221           222           223           224           225 
      1  -0.626080D+00  0.346517D+01  0.128259D+02  0.503365D+01 -0.146261D+01
      2  -0.610164D+01 -0.400895D+02 -0.262330D+02 -0.295438D+02  0.762034D+01
      3   0.227645D+02  0.833085D+01 -0.490603D+01  0.596124D+01  0.296583D+02
               226           227           228           229           230 
      1   0.169918D+00 -0.124072D+00  0.100326D+01  0.546150D-01 -0.669948D+00
      2  -0.761336D+00  0.780236D+00  0.103004D+00  0.406940D+00 -0.214752D+01
      3  -0.651834D+01  0.397185D+01 -0.935995D+00  0.427182D+01 -0.207172D+02
               231           232           233           234           235 
      1  -0.493133D+01 -0.123967D+00  0.291092D+01  0.215039D+00 -0.116341D+01
      2   0.128665D+01 -0.255751D+00 -0.250635D+00 -0.750062D-03  0.242358D+01
      3   0.225826D+01 -0.964733D+00  0.295885D+01  0.120139D+00  0.553693D+01
               236           237           238           239           240 
      1  -0.364601D+00 -0.206507D+01  0.572230D-01 -0.144151D+00 -0.256203D+01
      2   0.336463D+00  0.239046D+01 -0.732765D-01  0.132376D+00  0.344396D+01
      3  -0.610850D+01  0.785164D+00 -0.526577D+01 -0.108838D+02  0.779110D-01
               241           242           243           244           245 
      1   0.246462D+01  0.102621D+01  0.257710D+00  0.110771D+00 -0.199296D+00
      2  -0.326043D+01 -0.279590D-02 -0.675972D+00  0.537021D+00 -0.717214D+00
      3   0.169852D+01  0.604396D+00 -0.111453D+01  0.370016D+01 -0.301921D+01
               246           247           248           249           250 
      1   0.104240D+01 -0.346505D+00  0.554869D-01 -0.433859D+01 -0.247965D+00
      2   0.130760D+01 -0.697901D+00  0.266711D+01 -0.362666D+01 -0.194267D+01
      3   0.548733D+00 -0.113843D+01  0.211720D+02 -0.225086D+01  0.614461D+00
               251           252           253           254           255 
      1   0.188583D+01  0.363567D+00 -0.399536D+00  0.236830D+00 -0.831107D-01
      2   0.165937D-01  0.353280D+00 -0.994464D+01 -0.280936D+01  0.333992D+01
      3  -0.241659D+01  0.158784D+00 -0.372741D+01 -0.279382D+01  0.270160D+01
               256           257           258           259           260 
      1   0.155803D+01  0.944426D+00 -0.287710D+01 -0.376524D+01  0.981889D+00
      2  -0.802599D+01 -0.915726D+01  0.163494D+02  0.191691D+02  0.156565D+02
      3  -0.118210D+02 -0.163860D+02  0.945802D+01  0.922390D+01  0.142077D+02
               261           262           263           264           265 
      1   0.443126D+01  0.125740D+01 -0.589180D-01  0.796780D+00 -0.549205D+00
      2  -0.323299D+02  0.613640D+01 -0.473084D-03 -0.328777D+00  0.715403D+01
      3  -0.158315D+02 -0.353359D+01 -0.840743D+00 -0.214728D+00 -0.135011D+02
               266           267           268           269           270 
      1   0.107609D+01 -0.259814D+01 -0.198327D+01  0.193044D+01 -0.271234D+01
      2   0.132364D+02  0.194257D+02  0.144255D+02  0.170858D+02  0.254959D+02
      3  -0.247326D+02 -0.150330D+02 -0.825414D+01 -0.171820D+02 -0.182116D+02
               271           272           273           274           275 
      1  -0.108798D+01  0.820743D+00  0.408761D+00  0.738163D+00 -0.756688D+00
      2   0.395695D+01 -0.125425D+01  0.943788D+01 -0.222013D+01  0.170411D+01
      3   0.229476D+02 -0.136909D+02  0.239968D+01 -0.165511D+02  0.137599D+02
               276           277           278           279 
      1  -0.993339D+00 -0.103371D+01  0.452646D+00  0.820401D-01
      2  -0.388263D+01  0.839470D+01  0.126275D+00  0.207077D+01
      3  -0.253801D+01  0.281600D+01 -0.267137D+01 -0.585034D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.960180D+02 -0.415631D+02 -0.116978D+01  0.963564D+02 -0.982401D+01
      2   0.469916D+02  0.230288D+02  0.760870D+00 -0.441497D+02  0.126831D+02
      3   0.490264D+02  0.185342D+02  0.408913D+00 -0.522067D+02 -0.285909D+01
      4  -0.332329D+02  0.381064D+01 -0.231407D+01 -0.315366D+01  0.952912D+01
      5   0.150232D+01 -0.200263D+01  0.334623D+00 -0.347392D+01 -0.334444D+01
      6   0.865593D+00  0.150932D+01  0.975258D-01 -0.377862D+01 -0.329120D+01
                 6             7             8             9            10 
      1   0.664334D+01 -0.199532D+02 -0.324047D+01 -0.116799D+02  0.760991D+02
      2  -0.472782D+01  0.866130D+01  0.166529D+01 -0.142138D+00 -0.241153D+02
      3  -0.191551D+01  0.112919D+02  0.157518D+01  0.118220D+02 -0.519838D+02
      4  -0.147363D+01 -0.228294D+01 -0.719418D+00  0.153937D-01  0.358619D+01
      5  -0.686381D+00  0.217010D+01  0.166506D+01 -0.152078D+01  0.249188D+01
      6   0.336126D-01 -0.285854D+01  0.433332D+01  0.145253D+00 -0.579292D+01
                11            12            13            14            15 
      1  -0.891773D+01  0.791374D+01 -0.117217D+03 -0.213693D+02 -0.692823D+01
      2   0.702493D+01 -0.225176D+01  0.523323D+02  0.196340D+02  0.122333D+01
      3   0.189280D+01 -0.566197D+01  0.648850D+02  0.173531D+01  0.570490D+01
      4  -0.313385D+01 -0.212151D+00 -0.176175D+02 -0.154190D+02  0.546826D+00
      5  -0.250999D+01 -0.909543D+01  0.519908D+01  0.268558D+01  0.855509D+00
      6  -0.971678D+00  0.358671D-01  0.260428D+01  0.408750D+00 -0.145112D+01
                16            17            18            19            20 
      1   0.200876D+02  0.732707D+00 -0.791989D+01  0.660576D+02  0.442054D+02
      2  -0.780990D+01 -0.107461D+01 -0.130357D+01 -0.267780D+02 -0.268921D+02
      3  -0.122777D+02  0.341905D+00  0.922346D+01 -0.392796D+02 -0.173133D+02
      4   0.248458D+01  0.523967D+00 -0.255438D+01  0.347399D+02 -0.889570D+01
      5  -0.110856D+01 -0.246580D+01 -0.202175D+01 -0.431395D+01  0.164190D+01
      6  -0.248277D+01  0.401648D+01  0.109279D+01 -0.365720D+01 -0.495954D+01
                21            22            23            24            25 
      1   0.384358D+01 -0.140199D+02  0.214906D+02 -0.153278D+01  0.797591D+01
      2  -0.119469D+01  0.217394D+02 -0.267105D+02  0.444139D+01 -0.457559D+01
      3  -0.264889D+01 -0.771952D+01  0.521991D+01 -0.290860D+01 -0.340032D+01
      4   0.241367D+01  0.146140D+02  0.280506D+01 -0.166202D+01  0.373343D+01
      5  -0.611508D+01 -0.117703D+01 -0.275987D+01 -0.753203D+01  0.105777D+02
      6   0.858934D+00 -0.480510D+01  0.463579D+01  0.477931D+01 -0.199724D+01
                26            27            28            29            30 
      1   0.439251D+01 -0.126875D+02  0.575624D+01 -0.339711D+01 -0.463437D+01
      2   0.322720D+01 -0.122852D+01 -0.264961D+02  0.221008D+01  0.611194D+00
      3  -0.761971D+01  0.139160D+02  0.207399D+02  0.118703D+01  0.402318D+01
      4  -0.303876D+01 -0.507329D+01 -0.216304D+02  0.101090D+02 -0.665967D+00
      5  -0.850279D+01  0.175427D-01  0.875989D+01  0.154133D+01  0.929284D+01
      6   0.120774D+02 -0.277083D+01  0.656069D+01  0.249633D+01 -0.234057D+01
                31            32            33            34            35 
      1  -0.473478D+02 -0.584656D+02  0.612694D+01 -0.154689D+00  0.413716D+01
      2   0.375479D+02  0.504692D+02 -0.664852D+01 -0.474345D+01 -0.501013D+01
      3   0.979991D+01  0.799640D+01  0.521584D+00  0.489814D+01  0.872967D+00
      4  -0.289548D+02  0.123761D+01 -0.109409D+01  0.512846D+01 -0.563481D+00
      5   0.627387D+01 -0.845311D+00  0.406925D+01  0.335323D+02  0.351355D+01
      6  -0.385628D+01  0.864314D+00 -0.326512D+01 -0.416764D+01  0.309273D+01
                36            37            38            39            40 
      1  -0.143586D+01 -0.169715D+02 -0.569718D+02  0.231987D+01  0.371988D+02
      2  -0.100321D+02  0.953071D+01  0.427665D+02 -0.157870D+01 -0.389977D+02
      3   0.114680D+02  0.744082D+01  0.142053D+02 -0.741169D+00  0.179888D+01
      4  -0.203944D+01 -0.983752D+01 -0.386951D+01 -0.596494D+00  0.799406D+01
      5  -0.627877D-01  0.183618D+01 -0.312135D+01  0.777705D+01  0.240462D+01
      6   0.190362D+01 -0.312819D+01  0.301725D+01  0.949004D+01  0.815582D+01
                41            42            43            44            45 
      1   0.350151D+02 -0.450225D+01 -0.801341D+01 -0.117641D+02 -0.969531D+01
      2  -0.309370D+02  0.163637D+01  0.687036D+01  0.793512D+01 -0.614600D+00
      3  -0.407803D+01  0.286588D+01  0.114305D+01  0.382899D+01  0.103099D+02
      4  -0.154494D+02  0.358467D+01 -0.201495D+01  0.221586D+01  0.833839D+01
      5   0.503326D+01  0.499843D+01  0.168829D+02  0.554202D+01  0.468040D+00
      6  -0.998288D+00  0.104769D+01  0.180892D+02  0.817160D+01  0.509268D+01
                46            47            48            49            50 
      1   0.254743D+02  0.407928D+02  0.128985D+01 -0.147381D+02  0.151011D+01
      2  -0.211488D+02 -0.311599D+02 -0.412355D+00  0.100335D+02 -0.133704D+02
      3  -0.432549D+01 -0.963284D+01 -0.877493D+00  0.470455D+01  0.118603D+02
      4   0.284763D+01 -0.607093D+01  0.941055D+00  0.692262D+01  0.101447D+02
      5  -0.509945D+01  0.304096D+01 -0.200779D+01 -0.176385D+00 -0.560727D+00
      6   0.371028D+01 -0.547038D+01 -0.662867D+01  0.780835D-01  0.736179D+01
                51            52            53            54            55 
      1  -0.435269D+01  0.570496D+01 -0.133227D+01 -0.223726D+02  0.285210D+02
      2   0.446498D+01 -0.473142D+01  0.419342D+01  0.107174D+02 -0.204228D+02
      3  -0.112287D+00 -0.973545D+00 -0.286114D+01  0.116552D+02 -0.809814D+01
      4  -0.117477D+01  0.138718D+00 -0.379183D+01 -0.174945D+01  0.225298D+02
      5  -0.140616D+00  0.414674D+01  0.120388D+01 -0.209995D+01  0.332016D+01
      6   0.741738D+01 -0.220644D+01  0.226093D+02 -0.172475D+01  0.252664D+01
                56            57            58            59            60 
      1   0.518533D+02 -0.687569D+00  0.879738D+01  0.241617D+02 -0.463704D+01
      2  -0.332834D+02 -0.755394D+00 -0.131829D+01 -0.243778D+02  0.568159D+01
      3  -0.185699D+02  0.144296D+01 -0.747909D+01  0.216104D+00 -0.104455D+01
      4  -0.406734D+02  0.410978D+01  0.293538D+02  0.153855D+02  0.175334D+01
      5   0.535915D+01 -0.134753D+02 -0.296297D+01  0.101205D+01  0.490510D+01
      6  -0.204881D+01 -0.807885D+01 -0.462071D+00  0.626855D+01  0.686324D+01
                61            62            63            64            65 
      1   0.276973D+01 -0.170774D+01 -0.204297D+02 -0.804320D+00  0.300731D+01
      2  -0.169965D+01  0.679470D+01  0.743093D+01  0.378571D+01 -0.422485D+01
      3  -0.107008D+01 -0.508695D+01  0.129988D+02 -0.298139D+01  0.121754D+01
      4  -0.258704D+01 -0.371573D+01  0.145580D+02 -0.522382D+01  0.991542D+01
      5   0.249849D+01  0.169244D+02 -0.756936D+01  0.123703D+01 -0.169896D+01
      6   0.263564D+01  0.211799D+02 -0.436829D+01 -0.185171D+01  0.169678D+01
                66            67            68            69            70 
      1  -0.425113D+00  0.759929D+01 -0.329570D+02  0.508538D+01  0.167100D+00
      2   0.248001D+00 -0.102991D+02  0.395106D+02 -0.372557D+01  0.203323D+00
      3   0.177112D+00  0.269985D+01 -0.655358D+01 -0.135980D+01 -0.370423D+00
      4  -0.137271D+01  0.107416D+02 -0.186596D+02  0.238829D+01 -0.164072D+01
      5   0.146789D+01 -0.193899D+01  0.153376D+01 -0.252428D+01  0.446481D-01
      6  -0.118964D+01  0.296841D+01 -0.972252D+01  0.748519D+01 -0.169430D+01
                71            72            73            74            75 
      1   0.364020D+01 -0.396106D+01  0.107464D+02 -0.136553D+01  0.334193D+00
      2  -0.389007D+01  0.369087D+01 -0.462091D-02  0.851526D+01 -0.653688D+00
      3   0.249871D+00  0.270193D+00 -0.107418D+02 -0.714973D+01  0.319495D+00
      4   0.279139D+01 -0.882341D+00  0.257927D+02  0.195825D+02  0.352102D-01
      5  -0.461198D-01  0.593521D+00  0.281336D+01  0.263115D+00  0.505103D+01
      6   0.364052D+01 -0.208162D+01  0.183314D+01  0.953170D+00  0.283653D+01
                76            77            78            79            80 
      1  -0.300502D+01 -0.926631D+01 -0.144009D+00  0.190696D+01  0.666681D+00
      2   0.125385D+02  0.188783D+02 -0.957254D-01 -0.205611D+01 -0.100768D+01
      3  -0.953351D+01 -0.961200D+01  0.239734D+00  0.149150D+00  0.340998D+00
      4   0.255357D+02  0.257061D+02 -0.278007D+00 -0.125008D+01 -0.139661D+01
      5  -0.702285D-01  0.169953D-01  0.372343D+01  0.278078D+00  0.172762D+01
      6   0.828324D+00  0.149124D+01  0.454705D+01 -0.914524D+00  0.221680D+01
                81            82            83            84            85 
      1   0.387197D+00 -0.444954D+01  0.730971D+01 -0.127573D+01  0.314548D+01
      2   0.486449D+00  0.660824D+01 -0.978856D+01  0.117042D+01 -0.358446D+01
      3  -0.873646D+00 -0.215870D+01  0.247886D+01  0.105310D+00  0.438979D+00
      4   0.208345D+01 -0.282175D+01  0.113704D+02 -0.953403D+00  0.693318D+01
      5  -0.516674D+00 -0.385060D+00 -0.864754D-01  0.177068D+01 -0.205697D+00
      6  -0.568029D+00 -0.486848D+00  0.121505D+01 -0.149557D+01  0.574335D-01
                86            87            88            89            90 
      1  -0.540173D+02  0.520345D+01 -0.120363D+01  0.668599D+01 -0.293037D+01
      2   0.712165D+02 -0.569034D+01  0.118675D+01 -0.799994D+01  0.311507D+01
      3  -0.171992D+02  0.486897D+00  0.168848D-01  0.131395D+01 -0.184697D+00
      4  -0.889956D+01  0.524573D+00 -0.827161D+00  0.144691D+01 -0.146863D+01
      5  -0.182758D+01 -0.428258D+00  0.792348D+00 -0.108914D+01  0.348688D+00
      6  -0.439654D+01  0.863821D+01  0.467364D+00  0.358916D+01 -0.179022D+01
                91            92            93            94            95 
      1  -0.157048D+02 -0.425276D+01  0.109969D+02 -0.445390D+01  0.143467D+02
      2   0.231804D+02  0.499512D+01  0.947276D+00  0.864273D+01 -0.199274D+02
      3  -0.747558D+01 -0.742363D+00 -0.119441D+02 -0.418883D+01  0.558071D+01
      4   0.401584D+00  0.218805D+01 -0.442713D+01 -0.287244D+01  0.385580D+02
      5  -0.812861D+00 -0.557611D+01 -0.205240D+02 -0.219034D+02 -0.333962D+01
      6  -0.584023D+01 -0.255131D+01 -0.880786D+00  0.609208D+00  0.925852D+01
                96            97            98            99           100 
      1  -0.129211D+02  0.511311D+01 -0.542146D+01 -0.236458D+02 -0.604905D+02
      2   0.145195D+02  0.333956D+01  0.472550D+01  0.162251D+02  0.338002D+02
      3  -0.159846D+01 -0.845267D+01  0.695964D+00  0.742067D+01  0.266903D+02
      4  -0.316642D+01 -0.101343D+02 -0.435716D+01 -0.261663D+01  0.266031D+02
      5  -0.267114D+01 -0.586792D+02 -0.500113D+01 -0.252289D+01 -0.360706D+02
      6  -0.122376D+01 -0.320296D+00 -0.627869D+00 -0.416016D+01  0.130985D+02
               101           102           103           104           105 
      1   0.190057D+02 -0.335366D+02  0.347689D+02  0.472077D+00 -0.678302D+00
      2  -0.991217D+01  0.277322D+01 -0.260840D+02 -0.683807D+01 -0.103260D+02
      3  -0.909352D+01  0.307634D+02 -0.868493D+01  0.636599D+01  0.110043D+02
      4  -0.122018D+01  0.358476D+01 -0.526572D+01 -0.408654D+02 -0.235509D+01
      5   0.820696D+01  0.177208D+02  0.226688D+02 -0.117484D+01  0.166471D+02
      6  -0.815445D-01  0.518247D+00 -0.860391D-01 -0.175855D+02 -0.147891D-01
               106           107           108           109           110 
      1  -0.736999D+01 -0.329213D+01  0.371240D+02 -0.105421D+03 -0.142305D+02
      2  -0.124822D+02 -0.445432D+01 -0.105322D+02  0.476415D+02  0.230550D+01
      3   0.198522D+02  0.774645D+01 -0.265918D+02  0.577793D+02  0.119250D+02
      4   0.536965D+01  0.148360D+01  0.139511D+02 -0.223773D+02 -0.176321D+02
      5   0.403413D+02  0.133208D+02  0.109220D+02  0.224166D+02  0.857621D+01
      6   0.411124D+01  0.161245D+01  0.113685D+02  0.702553D+01  0.112080D+01
               111           112           113           114           115 
      1   0.126105D+02 -0.285811D+02 -0.990868D+01  0.799147D+01 -0.287624D+02
      2  -0.627358D+01  0.844299D+01  0.108047D+02 -0.403336D+01  0.224936D+02
      3  -0.633687D+01  0.201381D+02 -0.896051D+00 -0.395811D+01  0.626875D+01
      4   0.606314D+01  0.327726D+01 -0.170116D+02  0.957928D+00  0.628840D+01
      5  -0.975535D+01  0.156875D+02  0.238839D+01 -0.488893D+01  0.315249D+02
      6  -0.346360D+01  0.244946D+01  0.918527D+00  0.123302D+01  0.991969D+00
               116           117           118           119           120 
      1   0.655521D+01  0.310019D+02 -0.687470D+01 -0.627127D+01 -0.492830D+00
      2  -0.289870D+01 -0.856255D+01  0.852774D+01  0.250018D+01  0.313775D+00
      3  -0.365651D+01 -0.224394D+02 -0.165304D+01  0.377109D+01  0.179055D+00
      4  -0.865623D+00  0.327030D+01 -0.854645D+01  0.735030D+01 -0.578168D+00
      5   0.394921D+01 -0.765726D+01  0.399111D+00 -0.103752D+01  0.721454D+01
      6  -0.546869D+01 -0.455548D+01 -0.234245D+01  0.801453D+00 -0.267521D+00
               121           122           123           124           125 
      1  -0.986255D+01 -0.181034D+02  0.555107D+01 -0.218254D+01  0.207472D+01
      2   0.952697D+00  0.303179D+02 -0.437415D+01  0.166021D+01 -0.680957D+00
      3   0.890985D+01 -0.122145D+02 -0.117692D+01  0.522326D+00 -0.139376D+01
      4   0.164290D+02 -0.460792D+02  0.590853D+01 -0.427443D+00  0.460073D+01
      5  -0.171893D+01  0.558707D+01 -0.122078D+02  0.949347D+01 -0.579323D+01
      6   0.214303D+01 -0.105978D+02  0.667162D+01 -0.198725D+01  0.669384D+01
               126           127           128           129           130 
      1  -0.560584D+00  0.105272D+03 -0.133919D+02  0.205577D+02 -0.253266D+02
      2   0.282645D+00 -0.637237D+02  0.686205D+01 -0.179876D+02  0.147278D+02
      3   0.277938D+00 -0.415486D+02  0.652989D+01 -0.257016D+01  0.105988D+02
      4  -0.615278D+01 -0.202396D+02  0.163059D+02 -0.407446D+01  0.201618D+02
      5   0.482530D+01  0.613924D+02 -0.666653D+01  0.301106D+02 -0.178155D+02
      6  -0.225295D+01 -0.800570D+01  0.657006D+01 -0.204660D+01  0.731502D+01
               131           132           133           134           135 
      1   0.107113D+02 -0.374536D+01  0.989272D+01 -0.457467D+00  0.595679D+01
      2  -0.393031D+01  0.535809D+01 -0.895527D+01  0.161438D+01 -0.737471D+01
      3  -0.678100D+01 -0.161273D+01 -0.937455D+00 -0.115692D+01  0.141792D+01
      4  -0.540322D+01  0.505008D+01 -0.226122D+01  0.189156D+01 -0.437607D+01
      5   0.702344D+01 -0.110747D+02  0.171588D+02 -0.448792D+01  0.900741D+01
      6  -0.190252D+01  0.332344D+01 -0.237923D+01  0.156327D+01 -0.198779D+01
               136           137           138           139           140 
      1  -0.604772D+01 -0.461618D+01  0.234777D+02 -0.685267D+01 -0.672840D+01
      2  -0.403345D+00  0.130132D+01  0.258538D+01  0.454772D+01  0.143874D+01
      3   0.645106D+01  0.331485D+01 -0.260631D+02  0.230494D+01  0.528966D+01
      4  -0.329365D+01 -0.340505D+01  0.145000D+01  0.204255D+01 -0.522234D+00
      5   0.507908D+00 -0.712997D+00 -0.134141D+02 -0.501100D+01  0.533589D+01
      6  -0.228177D+01 -0.395697D+01  0.251198D+01  0.188372D+00 -0.273853D+01
               141           142           143           144           145 
      1   0.791610D+01  0.109780D+02  0.418772D+01 -0.405042D+02  0.912711D+01
      2   0.288179D+01 -0.403954D+01  0.149733D+01 -0.146336D+02 -0.269356D+01
      3  -0.107979D+02 -0.693844D+01 -0.568504D+01  0.551378D+02 -0.643355D+01
      4   0.711703D+01 -0.280698D+00  0.707733D+01 -0.729143D+01  0.591435D+01
      5  -0.115622D+02  0.642850D+01 -0.496390D+01  0.408749D+02  0.470500D+01
      6   0.886579D+01 -0.384367D+00  0.771907D+01 -0.720083D+01  0.166641D+01
               146           147           148           149           150 
      1   0.509279D+01  0.455449D+01  0.136323D+02 -0.450287D+01 -0.150952D+01
      2  -0.179739D+01 -0.644358D+00 -0.703789D+01  0.140009D+02 -0.322765D+01
      3  -0.329541D+01 -0.391014D+01 -0.659439D+01 -0.949799D+01  0.473718D+01
      4   0.731623D+01  0.726095D+00  0.158551D+02  0.514187D+02  0.956175D+01
      5   0.213563D+01 -0.288153D+00  0.131650D+02  0.981036D+01  0.151536D+02
      6   0.198251D+01  0.138365D+00  0.598747D+01  0.244869D+02  0.856249D+01
               151           152           153           154           155 
      1  -0.986145D+00 -0.133078D+01 -0.547157D+01  0.206930D+03  0.220724D+02
      2   0.143447D+01 -0.902130D+00  0.133995D+01 -0.997200D+02 -0.824448D+01
      3  -0.448321D+00  0.223291D+01  0.413161D+01 -0.107210D+03 -0.138279D+02
      4   0.293560D+00  0.631831D+00  0.395634D+01  0.228346D+02  0.356613D+02
      5  -0.508976D+00  0.410080D+01  0.722792D+00 -0.402452D+02 -0.503247D+01
      6   0.849882D+00  0.468135D+01  0.172342D+01 -0.526580D+01 -0.480408D+01
               156           157           158           159           160 
      1  -0.114699D+02  0.327675D+02  0.342680D+02 -0.270827D+01 -0.116160D+02
      2   0.107273D+02 -0.140953D+02 -0.130031D+02  0.259310D+01  0.102538D+02
      3   0.742560D+00 -0.186722D+02 -0.212649D+02  0.115172D+00  0.136213D+01
      4  -0.209538D+01  0.489850D+02  0.258841D+02 -0.433758D+01 -0.364733D+01
      5   0.424751D+02 -0.971117D+01 -0.892829D+01  0.111577D+02  0.358407D+02
      6  -0.683932D-01 -0.985513D+01 -0.489575D+01  0.541991D+01  0.229987D+01
               161           162           163           164           165 
      1  -0.222992D+01  0.189776D+02  0.587541D+02  0.462136D+01 -0.174110D+02
      2   0.163217D+01 -0.142365D+02 -0.416371D+02 -0.155912D+01  0.108359D+02
      3   0.597746D+00 -0.474115D+01 -0.171170D+02 -0.306224D+01  0.657510D+01
      4  -0.187539D+01  0.467428D+01 -0.148945D+01  0.815818D+01  0.413951D+01
      5   0.649186D+01 -0.705687D+01 -0.384412D+02  0.195129D+01  0.206364D+02
      6   0.445475D+01 -0.157437D+01  0.100581D+01 -0.146015D+01 -0.115707D+01
               166           167           168           169           170 
      1   0.157458D+02 -0.913128D+01 -0.372703D+01  0.726901D+01 -0.329530D+01
      2  -0.837803D+01  0.342744D+01  0.254113D+01 -0.185652D+01  0.746496D+00
      3  -0.736776D+01  0.570384D+01  0.118590D+01 -0.541249D+01  0.254881D+01
      4   0.389005D+01 -0.525995D+01 -0.126828D+02  0.584902D+01 -0.732233D+01
      5  -0.496369D+01 -0.119763D+02 -0.214814D+00  0.132936D+02 -0.791525D+01
      6  -0.137072D+01  0.480345D+01  0.124490D+02 -0.412236D+01  0.131499D+02
               171           172           173           174           175 
      1  -0.385758D+02 -0.542106D+02 -0.629418D+01 -0.698486D+01 -0.994687D+01
      2  -0.100374D+02  0.349473D+02  0.301744D+01 -0.524750D+01  0.603309D+01
      3   0.486133D+02  0.192633D+02  0.327675D+01  0.122324D+02  0.391378D+01
      4  -0.949896D+01  0.238748D+01 -0.550084D+01 -0.353822D+01  0.105241D+01
      5  -0.447229D+02  0.293394D+02 -0.198179D+01 -0.178187D+02  0.325396D+01
      6   0.107325D+02 -0.318628D+00  0.468999D+01  0.443844D+01  0.188668D+00
               176           177           178           179           180 
      1  -0.655532D+01 -0.249114D+01  0.120459D+02 -0.831748D+00 -0.102624D+02
      2   0.431928D+01  0.773830D+00 -0.138718D+02  0.350934D+00  0.540059D+01
      3   0.223604D+01  0.171731D+01  0.182591D+01  0.480814D+00  0.486179D+01
      4  -0.273788D+01 -0.385179D+01 -0.234534D+01  0.823404D+00  0.930460D+00
      5  -0.288183D+01 -0.258402D+01 -0.136050D+02  0.647698D+00  0.377267D+01
      6   0.275461D+01  0.409948D+01  0.357375D+01  0.967210D+00  0.161198D+00
               181           182           183           184           185 
      1  -0.384926D+01 -0.496509D+02  0.286393D+01  0.929281D+02  0.202673D+02
      2   0.366145D+01  0.352568D+02  0.144922D+00 -0.639391D+02 -0.185510D+02
      3   0.187808D+00  0.143940D+02 -0.300885D+01 -0.289890D+02 -0.171629D+01
      4  -0.124095D+02  0.459906D+02 -0.659580D+01  0.112149D+02 -0.348400D+02
      5  -0.585298D+01 -0.869737D+01  0.199883D+02  0.612060D+01  0.684248D+01
      6  -0.388530D+01 -0.254975D+01  0.112724D+02  0.600752D+01  0.252961D+01
               186           187           188           189           190 
      1   0.366777D+01 -0.143659D+02 -0.810621D+01  0.352614D+01  0.123973D+03
      2  -0.255466D+01  0.126668D+02  0.672910D+01 -0.883497D+01 -0.630473D+02
      3  -0.111311D+01  0.169908D+01  0.137711D+01  0.530884D+01 -0.609259D+02
      4   0.764698D+01 -0.173007D+01  0.109009D+02  0.179375D+02  0.260813D+01
      5   0.772215D+01  0.316880D+02  0.170856D+02 -0.268352D+01 -0.311270D+01
      6   0.263485D+01  0.157353D+02  0.883635D+01  0.288870D+01 -0.146705D+01
               191           192           193           194           195 
      1   0.214310D+02  0.461764D+01 -0.366921D+02 -0.160339D+02  0.166778D+01
      2  -0.106992D+02 -0.123479D+01  0.349171D+02  0.239621D+02 -0.368395D+01
      3  -0.107318D+02 -0.338284D+01  0.177502D+01 -0.792827D+01  0.201617D+01
      4   0.287723D+02 -0.209232D+01 -0.106076D+02  0.546254D+02 -0.719092D+01
      5  -0.180673D+01  0.212333D+01  0.493553D+01 -0.611343D+01  0.363854D-01
      6  -0.263701D+01 -0.373623D+01 -0.633457D+01 -0.379795D+01 -0.404937D+01
               196           197           198           199           200 
      1   0.549449D+01  0.591079D+01  0.256207D+02 -0.123775D+03 -0.733217D+01
      2  -0.532928D+01 -0.500970D+01 -0.225752D+02  0.498617D+02  0.177827D+00
      3  -0.165208D+00 -0.901094D+00 -0.304548D+01  0.739132D+02  0.715435D+01
      4   0.744555D+01 -0.381149D+01 -0.161148D+01 -0.949651D+01 -0.295013D+02
      5   0.527807D+02  0.258552D+01  0.393731D+01 -0.284523D+01  0.682205D+01
      6  -0.115131D+01  0.433793D+01  0.145168D+01  0.665995D+01  0.186444D-01
               201           202           203           204           205 
      1  -0.624403D+01 -0.783074D+02 -0.544866D+01 -0.644916D+01 -0.275868D+00
      2   0.295314D+01  0.486212D+02 -0.111231D+02  0.583837D+01 -0.212173D+01
      3   0.329089D+01  0.296863D+02  0.165718D+02  0.610783D+00  0.239759D+01
      4   0.512890D+01 -0.105605D+01 -0.158170D+02 -0.236307D+01  0.182405D+01
      5   0.328468D+01 -0.210072D+01 -0.310233D+01 -0.969654D+01  0.180718D+01
      6   0.420243D+00 -0.148612D+01  0.631146D+01  0.530527D+01 -0.242497D+01
               206           207           208           209           210 
      1   0.340143D+00 -0.221405D+02  0.144322D+02 -0.257923D+02 -0.553918D+00
      2   0.399955D+01  0.389374D+01 -0.101633D+02  0.131550D+02 -0.146222D+01
      3  -0.433969D+01  0.182468D+02 -0.426896D+01  0.126373D+02  0.201614D+01
      4  -0.756245D+01 -0.228966D+02 -0.206007D+02  0.119746D+02  0.436427D+00
      5  -0.250024D+02  0.337157D+01  0.346811D+01  0.860646D+00  0.308400D+02
      6   0.165480D+02 -0.984898D+00  0.515956D+00  0.241454D+01  0.397821D+01
               211           212           213           214           215 
      1   0.163315D+02  0.170400D+02 -0.182143D+01 -0.235534D+01 -0.309692D+01
      2  -0.144858D+02 -0.553804D+01  0.174242D+01 -0.359741D-01  0.253216D+01
      3  -0.184576D+01 -0.115019D+02  0.790043D-01  0.239131D+01  0.564759D+00
      4   0.459636D+02 -0.182725D+02  0.498722D+01 -0.467801D+01  0.129316D+01
      5  -0.491693D+01  0.300718D+01  0.856092D+01  0.111564D+02 -0.547713D+01
      6   0.229809D+01 -0.316971D+00  0.817834D+01 -0.369014D+01  0.479416D+01
               216           217           218           219           220 
      1   0.180576D+01 -0.429377D+02  0.512801D+02 -0.539908D+01  0.330998D+02
      2  -0.197634D+00  0.251263D+02 -0.264255D+02  0.322556D+01 -0.122777D+02
      3  -0.160813D+01  0.178114D+02 -0.248547D+02  0.217352D+01 -0.208222D+02
      4  -0.666501D+01  0.491946D+02 -0.809054D+01  0.769252D+01 -0.476441D+02
      5   0.386012D+01 -0.603227D+01  0.808886D+01 -0.203613D+02  0.114569D+02
      6  -0.177368D+01  0.299824D+01 -0.236969D+00 -0.308973D+01 -0.369976D+01
               221           222           223           224           225 
      1  -0.198214D+02  0.148822D+02 -0.559350D+00  0.128964D+02 -0.152583D+02
      2   0.114741D+02 -0.634200D+01 -0.122312D+01 -0.623083D+01  0.879390D+01
      3   0.834735D+01 -0.854021D+01  0.178247D+01 -0.666558D+01  0.646439D+01
      4  -0.225293D+02 -0.143506D+02  0.106924D+02 -0.912816D+01 -0.516544D+02
      5  -0.132199D+02 -0.777090D+02 -0.414178D+02 -0.531273D+02  0.152601D+02
      6  -0.407793D+01 -0.142941D+02 -0.133761D+02 -0.106141D+02 -0.143004D+01
               226           227           228           229           230 
      1  -0.410373D+01  0.131444D+02 -0.197248D+01  0.253423D+01 -0.520584D+02
      2   0.552784D+01 -0.119087D+02  0.134962D+01 -0.871593D+00  0.656366D+02
      3  -0.142411D+01 -0.123573D+01  0.622859D+00 -0.166264D+01 -0.135782D+02
      4   0.275156D+01  0.499095D+01 -0.298520D-01  0.471436D+01  0.269861D+02
      5  -0.584481D+00  0.186172D+00  0.109427D+01 -0.411191D+00 -0.528226D+01
      6  -0.101919D+01  0.198403D+01 -0.149594D+01 -0.309244D+00 -0.987745D+01
               231           232           233           234           235 
      1   0.579749D+01 -0.760394D+00  0.661772D+01 -0.272919D+01  0.490006D+02
      2  -0.535506D+01  0.430091D+00 -0.718941D+01  0.283437D+01 -0.186310D+02
      3  -0.442432D+00  0.330303D+00  0.571694D+00 -0.105175D+00 -0.303695D+02
      4  -0.316326D+01  0.508855D-02 -0.291834D+01 -0.819164D+00  0.367310D+02
      5   0.343110D+01  0.170348D+01 -0.908504D-01 -0.917455D-01 -0.584448D+00
      6   0.871070D+01 -0.103629D+00  0.384392D+01 -0.178155D+01  0.213036D+00
               236           237           238           239           240 
      1   0.150257D+02  0.172955D+01  0.225275D+02  0.105228D+02 -0.287335D+00
      2  -0.937011D+00 -0.866335D+00 -0.520133D+00  0.788882D+01  0.302795D+00
      3  -0.140887D+02 -0.863219D+00 -0.220074D+02 -0.184116D+02 -0.154604D-01
      4   0.276816D+02 -0.368751D-01  0.401729D+02  0.389219D+02 -0.740492D+00
      5  -0.143847D+01  0.438144D+01 -0.327884D+01 -0.266948D+01  0.577814D+01
      6  -0.203619D+00  0.227759D+01 -0.133016D+01 -0.897743D+00  0.419167D+01
               241           242           243           244           245 
      1   0.193859D+01 -0.165517D+00 -0.111368D+01 -0.298327D+01 -0.501645D+01
      2  -0.194586D+01 -0.509056D+00  0.980959D+00  0.595417D+01 -0.190170D+01
      3   0.727208D-02  0.674573D+00  0.132722D+00 -0.297089D+01  0.691815D+01
      4  -0.152529D+01 -0.169509D+01  0.159025D+01 -0.155807D+02  0.178983D+02
      5  -0.187739D+01  0.107991D+01 -0.624221D+00  0.113264D+01 -0.179635D+01
      6  -0.968592D+00  0.123725D+01 -0.499008D+00 -0.965816D+00  0.133649D+01
               246           247           248           249           250 
      1   0.488695D-01 -0.204178D+01 -0.218406D+02  0.259415D+01 -0.247704D+00
      2   0.245038D+00 -0.845190D+01  0.380418D+02 -0.308409D+01  0.810283D+00
      3  -0.293907D+00  0.104937D+02 -0.162012D+02  0.489936D+00 -0.562579D+00
      4  -0.254802D+01  0.250403D+02 -0.535334D+02  0.607584D+01 -0.346627D+01
      5   0.291553D+01 -0.206450D+01  0.358529D+01 -0.647673D+01  0.225758D+01
      6  -0.161842D+01  0.182980D+01 -0.527237D+01  0.749517D+01 -0.245371D+01
               251           252           253           254           255 
      1   0.176408D+01 -0.163047D+01  0.196416D+02  0.463156D+01 -0.158513D+02
      2  -0.339839D+01  0.275231D+01 -0.105022D+02 -0.195256D+01  0.775724D+01
      3   0.163431D+01 -0.112184D+01 -0.913941D+01 -0.267900D+01  0.809406D+01
      4   0.682594D+01 -0.195681D+01  0.579079D+01  0.505542D+01 -0.724483D+01
      5  -0.690817D+00  0.114996D+01 -0.191035D+02 -0.699288D+01  0.867074D+01
      6   0.318209D+01 -0.179115D+01 -0.264366D+01 -0.910595D+00  0.273098D+00
               256           257           258           259           260 
      1   0.248397D+02  0.122133D+02 -0.112834D+02 -0.570711D+02 -0.113412D+02
      2  -0.126573D+02 -0.400714D+01  0.483628D+01  0.330284D+02  0.553141D+01
      3  -0.121825D+02 -0.820620D+01  0.644715D+01  0.240427D+02  0.580978D+01
      4   0.281984D+02  0.248070D+02 -0.175434D+02 -0.226777D+02 -0.220216D+02
      5  -0.207134D+02 -0.183305D+02  0.324322D+02  0.496670D+02  0.289761D+02
      6  -0.403255D+01 -0.447733D+01  0.779447D+01  0.832223D+01  0.748153D+01
               261           262           263           264           265 
      1   0.200734D+02  0.499938D+01  0.481326D+01  0.126869D+02  0.273108D+02
      2  -0.173661D+02 -0.308497D+01 -0.222584D+01 -0.573264D+01 -0.143546D+02
      3  -0.270722D+01 -0.191442D+01 -0.258741D+01 -0.695427D+01 -0.129563D+02
      4   0.275144D+02  0.427376D+01  0.306154D+01  0.322609D+01  0.326392D+02
      5  -0.631779D+02  0.124098D+02  0.293488D+01  0.210553D+01  0.219673D+02
      6  -0.806375D+01  0.206003D+01  0.550982D-01 -0.612436D+00  0.776676D+01
               266           267           268           269           270 
      1   0.935731D+01  0.600391D+01  0.381784D+02  0.415702D+01  0.104342D+02
      2  -0.171372D+01 -0.392810D+01 -0.226088D+02 -0.314041D+01 -0.138116D+02
      3  -0.764359D+01 -0.207580D+01 -0.155695D+02 -0.101661D+01  0.337734D+01
      4   0.386602D+02  0.280795D+02  0.200476D+02  0.276766D+02  0.319475D+02
      5   0.275558D+02  0.389333D+02  0.405650D+02  0.323246D+02  0.496186D+02
      6   0.102940D+02  0.113107D+02  0.968188D+01  0.106351D+02  0.116535D+02
               271           272           273           274           275 
      1   0.172517D+03 -0.388845D+02  0.141249D+02 -0.813598D+02  0.293511D+02
      2  -0.889034D+02  0.196264D+02 -0.828417D+01  0.407641D+02 -0.130659D+02
      3  -0.836141D+02  0.192581D+02 -0.584075D+01  0.405957D+02 -0.162852D+02
      4  -0.469527D+02  0.237582D+02 -0.428824D+01  0.399360D+02 -0.281161D+02
      5   0.176485D+02 -0.416742D+01  0.188091D+02 -0.851871D+01  0.493913D+01
      6  -0.178737D+01  0.980885D+00 -0.977470D+00  0.182691D+01 -0.125804D+01
               276           277           278           279 
      1  -0.693406D+01  0.184243D+02 -0.466787D+01  0.166242D+02
      2   0.400612D+01 -0.108836D+02  0.269952D+01 -0.993375D+01
      3   0.292794D+01 -0.754071D+01  0.196835D+01 -0.669046D+01
      4   0.514169D+01 -0.552394D+01  0.460025D+01 -0.146054D+01
      5  -0.800701D+01  0.250629D+02 -0.123096D+01  0.547433D+01
      6   0.244990D+01 -0.182091D+01  0.300325D+01 -0.571389D+00
 Leave Link  716 at Tue Aug 17 00:23:39 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.324496D+03  0.152539D+02  0.118963D+02
      2   0.152539D+02  0.172958D+03 -0.371691D+01
      3   0.118963D+02 -0.371691D+01  0.125209D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.930079D+01  0.277078D+02  0.786574D+01
      2  -0.504826D+02  0.104461D+02  0.306486D+02
      3   0.833047D+01  0.599367D+02 -0.739980D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.371727D+03 -0.110768D+02 -0.492305D+02
      2   0.151554D+03  0.158859D+02 -0.450670D+01
      3   0.220172D+03 -0.480917D+01  0.537372D+02
      4  -0.206443D+02 -0.149604D+03  0.237312D+02
      5   0.280475D+02  0.221029D+02  0.716834D+02
      6   0.575428D+01  0.461017D+02 -0.259199D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.423550D+02  0.859808D+01  0.145352D+01 -0.498109D+02 -0.447733D+01
      2   0.859808D+01  0.359269D+01  0.322782D+00 -0.447733D+01 -0.574686D+01
      3   0.145352D+01  0.322782D+00 -0.368120D+00 -0.275038D+01  0.186313D+00
                 6             7             8             9            10 
      1  -0.275038D+01  0.832089D+01  0.132382D+01  0.182397D+01 -0.331673D+02
      2   0.186313D+00  0.132382D+01  0.674942D+00 -0.114851D+01 -0.670456D+01
      3   0.189980D-02  0.182397D+01 -0.114851D+01  0.411510D+00 -0.106110D+01
                11            12            13            14            15 
      1  -0.670456D+01 -0.106110D+01  0.540660D+02  0.570012D+01  0.315508D+01
      2  -0.582885D+00 -0.288071D+00  0.570012D+01  0.676611D+01 -0.109687D+00
      3  -0.288071D+00 -0.665848D-01  0.315508D+01 -0.109687D+00 -0.214988D+00
                16            17            18            19            20 
      1  -0.852257D+01 -0.127859D+01 -0.920855D+00 -0.553522D+02 -0.103678D+02
      2  -0.127859D+01 -0.584834D+00  0.104558D+01 -0.103678D+02 -0.935774D+01
      3  -0.920855D+00  0.104558D+01 -0.170498D+00 -0.115698D+01  0.324457D+00
                21            22            23            24            25 
      1  -0.115698D+01 -0.169558D+02 -0.196185D+01  0.380142D+00 -0.269417D+01
      2   0.324457D+00 -0.196185D+01 -0.398986D+01 -0.603942D+00  0.283676D+00
      3  -0.585241D+00  0.380142D+00 -0.603942D+00 -0.202595D+01  0.955562D+00
                26            27            28            29            30 
      1   0.283676D+00  0.955562D+00  0.556853D+02  0.383732D+01  0.955074D+00
      2  -0.114473D+01 -0.364622D+01  0.383732D+01  0.595693D+01 -0.152816D-01
      3  -0.364622D+01  0.118215D+01  0.955074D+00 -0.152816D-01  0.226275D+01
                31            32            33            34            35 
      1   0.230082D+01  0.428925D+01  0.589110D+00  0.282857D+00  0.644770D+00
      2   0.428925D+01  0.135977D+02 -0.578848D+00  0.644770D+00 -0.249982D+00
      3   0.589110D+00 -0.578848D+00  0.350467D+00  0.667846D+01  0.538935D+00
                36            37            38            39            40 
      1   0.667846D+01  0.813508D+01 -0.759132D+00  0.429232D+00  0.937414D+01
      2   0.538935D+00 -0.759132D+00  0.120636D+02 -0.871130D+00  0.132456D+00
      3   0.675534D+00  0.429232D+00 -0.871130D+00  0.213928D+01  0.375573D+00
                41            42            43            44            45 
      1   0.132456D+00  0.375573D+00  0.169877D-01  0.236595D+00  0.444684D+01
      2  -0.842900D+01  0.105536D+01  0.236595D+00  0.239072D+01  0.180711D+01
      3   0.105536D+01  0.952557D+00  0.444684D+01  0.180711D+01  0.626296D+00
                46            47            48            49            50 
      1  -0.111103D+02  0.226051D+01 -0.138336D+01  0.247010D+01  0.307087D+01
      2   0.226051D+01 -0.861205D+01  0.142995D+00  0.307087D+01  0.520635D+00
      3  -0.138336D+01  0.142995D+00 -0.131794D+01 -0.272217D+00  0.884981D+00
                51            52            53            54            55 
      1  -0.272217D+00 -0.102733D+01 -0.647607D+00 -0.709633D+00  0.935235D+00
      2   0.884981D+00 -0.647607D+00  0.202597D+00  0.435444D+01 -0.347149D+01
      3   0.150597D+01 -0.709633D+00  0.435444D+01 -0.107129D+01  0.485067D+00
                56            57            58            59            60 
      1  -0.347149D+01  0.485067D+00 -0.430629D+01 -0.451786D+01  0.359155D+00
      2   0.603067D+01 -0.470568D+00 -0.451786D+01 -0.210125D+01 -0.720335D+00
      3  -0.470568D+00  0.205019D+01  0.359155D+00 -0.720335D+00 -0.144447D+01
                61            62            63            64            65 
      1   0.689380D+00  0.507695D+00 -0.344843D+00  0.362431D+00 -0.199345D+01
      2   0.507695D+00 -0.137032D+00 -0.414801D+01 -0.199345D+01  0.103225D+01
      3  -0.344843D+00 -0.414801D+01  0.132273D+01  0.287327D+00 -0.260816D+00
                66            67            68            69            70 
      1   0.287327D+00 -0.223352D+01  0.266622D+01 -0.474869D+00  0.520900D+00
      2  -0.260816D+00  0.266622D+01 -0.778571D+01  0.111105D+01 -0.527035D+00
      3   0.163698D+00 -0.474869D+00  0.111105D+01 -0.104706D+01 -0.400192D-01
                71            72            73            74            75 
      1  -0.527035D+00 -0.400192D-01  0.725357D+01  0.313260D+01  0.327646D+00
      2   0.100762D+01 -0.271261D+00  0.313260D+01  0.285451D+01 -0.181151D-01
      3  -0.271261D+00  0.231659D+00  0.327646D+00 -0.181151D-01  0.647748D+00
                76            77            78            79            80 
      1   0.441023D+01  0.407504D+01 -0.107017D+00  0.284966D+00 -0.348824D+00
      2   0.407504D+01  0.418601D+01  0.108490D-01 -0.348824D+00 -0.236970D+00
      3  -0.107017D+00  0.108490D-01  0.675357D+00 -0.278223D+00  0.290620D+00
                81            82            83            84            85 
      1  -0.278223D+00 -0.678729D+00  0.137269D+01 -0.204813D+00  0.641565D+00
      2   0.290620D+00  0.137269D+01 -0.165337D+01  0.254744D+00 -0.664608D+00
      3  -0.164016D+00 -0.204813D+00  0.254744D+00 -0.152865D+00  0.372661D-01
                86            87            88            89            90 
      1  -0.664608D+00  0.372661D-01 -0.268477D+00  0.212776D+00  0.107747D+00
      2   0.108557D+02 -0.102445D+01  0.212776D+00 -0.131048D+01  0.272018D+00
      3  -0.102445D+01  0.110715D+01  0.107747D+00  0.272018D+00 -0.170204D+00
                91            92            93            94            95 
      1  -0.204235D+02 -0.150086D+01  0.131973D+00  0.214242D+00 -0.191088D+00
      2  -0.150086D+01  0.313018D+00 -0.542363D+00 -0.191088D+00  0.494438D+01
      3   0.131973D+00 -0.542363D+00 -0.306016D+01 -0.216994D+01 -0.647759D+00
                96            97            98            99           100 
      1  -0.216994D+01  0.100481D+01 -0.128182D+01 -0.745141D+01 -0.581547D+01
      2  -0.647759D+00 -0.128182D+01 -0.388867D+00 -0.684078D+00  0.270037D+01
      3  -0.526412D+00 -0.745141D+01 -0.684078D+00  0.495784D+00 -0.182160D+01
               101           102           103           104           105 
      1   0.270037D+01 -0.182160D+01  0.758644D+01 -0.233957D+00  0.154587D+01
      2  -0.613327D+00  0.202508D+00 -0.233957D+00 -0.472430D+01 -0.151720D+00
      3   0.202508D+00  0.345231D+01  0.154587D+01 -0.151720D+00  0.240376D+01
               106           107           108           109           110 
      1   0.412928D+01  0.944599D+00  0.526024D+01 -0.752903D+01 -0.175654D+01
      2   0.944599D+00  0.416426D+00  0.180374D+01 -0.175654D+01 -0.187496D+00
      3   0.526024D+01  0.180374D+01 -0.814092D+00  0.803107D+00  0.606187D+00
               111           112           113           114           115 
      1   0.803107D+00 -0.238554D+01 -0.391238D-01  0.141853D+01 -0.102519D+02
      2   0.606187D+00 -0.391238D-01 -0.827630D+00 -0.640566D-01  0.409802D+00
      3   0.957748D+00  0.141853D+01 -0.640566D-01  0.417565D+00  0.503861D+01
               116           117           118           119           120 
      1   0.409802D+00  0.503861D+01 -0.168142D+01 -0.945278D+00  0.106175D+00
      2  -0.909643D+00  0.427433D+00 -0.945278D+00  0.410742D+00 -0.138832D-01
      3   0.427433D+00 -0.586800D+00  0.106175D+00 -0.138832D-01  0.754383D+00
               121           122           123           124           125 
      1  -0.311095D+01  0.174419D+01 -0.128446D+00 -0.394227D+00 -0.742495D-01
      2   0.174419D+01 -0.659915D+01  0.859812D+00 -0.742495D-01  0.698945D+00
      3  -0.128446D+00  0.859812D+00 -0.170846D+01  0.115676D+01 -0.967570D+00
               126           127           128           129           130 
      1   0.115676D+01  0.146414D+02 -0.161029D+01  0.357654D+01 -0.393678D+01
      2  -0.967570D+00 -0.161029D+01  0.135425D+01 -0.258319D+00  0.161472D+01
      3   0.744368D+00  0.357654D+01 -0.258319D+00  0.232835D+01 -0.120182D+01
               131           132           133           134           135 
      1   0.161472D+01 -0.120182D+01  0.125846D+01 -0.316442D+00  0.116805D+01
      2  -0.506838D+00  0.446859D+00 -0.316442D+00 -0.117427D-01 -0.442147D+00
      3   0.446859D+00 -0.115631D+01  0.116805D+01 -0.442147D+00  0.698351D+00
               136           137           138           139           140 
      1  -0.736003D+00 -0.386734D+00  0.807140D+00 -0.119698D+01  0.762136D-01
      2  -0.386734D+00 -0.514220D+00  0.182348D+00  0.762136D-01 -0.167911D+00
      3   0.807140D+00  0.182348D+00 -0.344237D+01 -0.253686D+00  0.108177D+01
               141           142           143           144           145 
      1  -0.253686D+00  0.752229D+00 -0.842952D-01 -0.372796D+00  0.893453D+00
      2   0.108177D+01 -0.842952D-01  0.108375D+01 -0.840877D+00  0.716670D+00
      3  -0.193837D+01 -0.372796D+00 -0.840877D+00  0.756994D+01  0.868050D-01
               146           147           148           149           150 
      1   0.716670D+00  0.868050D-01  0.283489D+01  0.130088D+01  0.105513D+01
      2   0.511123D+00  0.573232D-01  0.130088D+01  0.634945D+01  0.119062D+01
      3   0.573232D-01 -0.347519D+00  0.105513D+01  0.119062D+01  0.192781D+01
               151           152           153           154           155 
      1  -0.500146D+00  0.918017D-01 -0.232402D+00  0.208200D+02  0.228505D+01
      2   0.918017D-01  0.465914D-01  0.557947D+00  0.228505D+01  0.165865D+01
      3  -0.232402D+00  0.557947D+00  0.316957D+00 -0.152683D+01 -0.110470D+00
               156           157           158           159           160 
      1  -0.152683D+01  0.463374D+01  0.418838D+01 -0.734119D+00 -0.198288D+01
      2  -0.110470D+00  0.418838D+01  0.214988D+01 -0.327134D+00 -0.463791D+00
      3   0.323552D+01 -0.734119D+00 -0.327134D+00  0.902761D+00  0.248820D+01
               161           162           163           164           165 
      1  -0.463791D+00  0.248820D+01  0.148994D+02  0.772921D-01 -0.447960D+01
      2   0.326862D+00  0.610493D+00  0.772921D-01  0.693465D-01  0.523500D+00
      3   0.610493D+00  0.268511D-01 -0.447960D+01  0.523500D+00  0.110895D+01
               166           167           168           169           170 
      1   0.313431D+01 -0.925233D-01 -0.443722D+00 -0.788431D+00  0.733666D+00
      2  -0.925233D-01 -0.730731D+00 -0.159649D+01  0.733666D+00 -0.765287D+00
      3  -0.443722D+00 -0.159649D+01 -0.133205D+00  0.511732D+00 -0.106002D+01
               171           172           173           174           175 
      1   0.511732D+00 -0.119778D+02  0.121892D+00  0.241670D+01 -0.136106D+01
      2  -0.106002D+01  0.121892D+00 -0.424777D+00 -0.764447D+00  0.258619D+00
      3  -0.760181D+01  0.241670D+01 -0.764447D+00 -0.313771D+01  0.850104D-01
               176           177           178           179           180 
      1   0.258619D+00  0.850104D-01  0.706309D+01 -0.603498D+00 -0.242548D+01
      2  -0.842448D+00 -0.837243D+00 -0.603498D+00 -0.103220D+01  0.677391D-01
      3  -0.837243D+00 -0.682983D+00 -0.242548D+01  0.677391D-01 -0.369527D+00
               181           182           183           184           185 
      1  -0.626179D+01  0.148439D+00  0.434770D-01 -0.144146D+02 -0.968705D+00
      2   0.148439D+00 -0.102534D+02  0.124272D+01 -0.968705D+00  0.548477D+01
      3   0.434770D-01  0.124272D+01 -0.266302D+01 -0.134130D+01 -0.128299D+01
               186           187           188           189           190 
      1  -0.134130D+01  0.179582D+01 -0.126889D+00 -0.423888D+01 -0.382303D+02
      2  -0.128299D+01 -0.126889D+00 -0.202667D+01 -0.253859D+01 -0.476050D+01
      3  -0.118810D+01 -0.423888D+01 -0.253859D+01 -0.136141D+00 -0.124522D+01
               191           192           193           194           195 
      1  -0.476050D+01 -0.124522D+01 -0.501279D+00 -0.414801D+01 -0.211283D+00
      2  -0.984351D+01  0.375416D+00 -0.414801D+01 -0.111066D+02  0.121765D+01
      3   0.375416D+00 -0.359564D+01 -0.211283D+00  0.121765D+01  0.435851D+00
               196           197           198           199           200 
      1  -0.190750D+01 -0.696070D+00 -0.718458D+01  0.425108D+02  0.959675D+01
      2  -0.696070D+00  0.323939D+00 -0.318981D+00  0.959675D+01  0.742485D+01
      3  -0.718458D+01 -0.318981D+00 -0.131623D+01  0.159057D+01 -0.623989D+00
               201           202           203           204           205 
      1   0.159057D+01  0.154795D+02  0.301792D+01  0.594928D+00  0.189902D+01
      2  -0.623989D+00  0.301792D+01  0.481854D+01  0.413830D+00  0.706420D-01
      3   0.730973D+00  0.594928D+00  0.413830D+00  0.217669D+01  0.108712D+00
               206           207           208           209           210 
      1   0.706420D-01  0.108712D+00  0.688116D+01  0.320745D+01  0.210003D+00
      2   0.111772D+01  0.450367D+01  0.320745D+01  0.343718D+01 -0.121619D+00
      3   0.450367D+01 -0.113294D+01  0.210003D+00 -0.121619D+00 -0.936998D-01
               211           212           213           214           215 
      1  -0.441124D+01 -0.408298D+01  0.169730D+00  0.107540D+01  0.621488D+00
      2  -0.408298D+01  0.107717D+01 -0.501257D+00  0.621488D+00  0.308687D+00
      3   0.169730D+00 -0.501257D+00 -0.112336D+01 -0.280275D+00  0.701949D+00
               216           217           218           219           220 
      1  -0.280275D+00 -0.120356D+01 -0.406559D+01  0.775108D-02 -0.111102D+01
      2   0.701949D+00 -0.406559D+01 -0.466554D+00 -0.582679D+00  0.381364D+01
      3  -0.799326D-01  0.775108D-02 -0.582679D+00  0.106958D+01 -0.720744D+00
               221           222           223           224           225 
      1   0.381364D+01 -0.720744D+00 -0.533604D+00 -0.783696D+00  0.339100D+01
      2   0.147739D+01  0.128289D+01 -0.783696D+00  0.802464D+00  0.445841D+01
      3   0.128289D+01  0.617949D+01  0.339100D+01  0.445841D+01 -0.108331D+01
               226           227           228           229           230 
      1   0.254090D+00 -0.134875D+01  0.171576D+00 -0.434107D+00  0.127339D+00
      2  -0.134875D+01  0.160204D+01 -0.276408D+00  0.127339D+00 -0.102989D+02
      3   0.171576D+00 -0.276408D+00  0.147993D+00  0.200237D-01  0.106936D+01
               231           232           233           234           235 
      1   0.200237D-01  0.491840D-01 -0.115134D+00 -0.612156D-01 -0.774874D+01
      2   0.106936D+01 -0.115134D+00  0.120880D+01 -0.252833D+00 -0.336980D+01
      3  -0.108548D+01 -0.612156D-01 -0.252833D+00  0.146255D+00 -0.243778D+00
               236           237           238           239           240 
      1  -0.336980D+01 -0.243778D+00 -0.519140D+01 -0.426003D+01  0.171206D+00
      2  -0.278585D+01  0.166869D-01 -0.426003D+01 -0.424920D+01  0.604027D-01
      3   0.166869D-01 -0.396347D+00  0.171206D+00  0.604027D-01 -0.617471D+00
               241           242           243           244           245 
      1  -0.174391D+00  0.238730D+00  0.443007D+00 -0.446698D+00  0.216913D+01
      2   0.238730D+00  0.202530D+00 -0.945713D-01  0.216913D+01 -0.170048D+01
      3   0.443007D+00 -0.945713D-01  0.131453D+00 -0.220989D+00  0.306727D+00
               246           247           248           249           250 
      1  -0.220989D+00  0.280406D+01 -0.327133D+01  0.433503D+00 -0.290806D+00
      2   0.306727D+00 -0.327133D+01  0.894109D+01 -0.105230D+01  0.497531D+00
      3  -0.330808D+00  0.433503D+00 -0.105230D+01  0.115201D+01 -0.281084D+00
               251           252           253           254           255 
      1   0.497531D+00 -0.281084D+00 -0.669074D+00 -0.261008D+00  0.151166D+01
      2  -0.107227D+01  0.227665D+00 -0.261008D+00 -0.309632D-01  0.464705D+00
      3   0.227665D+00 -0.191601D+00  0.151166D+01  0.464705D+00 -0.414352D+00
               256           257           258           259           260 
      1  -0.260239D+01 -0.207043D+01  0.155864D+01  0.611890D+01  0.174134D+01
      2  -0.207043D+01 -0.192631D+01  0.148469D+01  0.174134D+01  0.179487D+01
      3   0.155864D+01  0.148469D+01 -0.256902D+01 -0.377957D+01 -0.239897D+01
               261           262           263           264           265 
      1  -0.377957D+01  0.582411D+00 -0.186461D+00 -0.882436D+00 -0.315343D+01
      2  -0.239897D+01 -0.186461D+00  0.187835D+00 -0.106970D+00 -0.245968D+01
      3   0.522690D+01 -0.882436D+00 -0.106970D+00  0.143948D+00 -0.177680D+01
               266           267           268           269           270 
      1  -0.245968D+01 -0.177680D+01 -0.432873D+01 -0.159877D+01 -0.324717D+01
      2  -0.320854D+01 -0.247455D+01 -0.159877D+01 -0.238613D+01 -0.287328D+01
      3  -0.247455D+01 -0.327840D+01 -0.324717D+01 -0.287328D+01 -0.452042D+01
               271           272           273           274           275 
      1  -0.131775D+02  0.326399D+01 -0.117464D+01  0.716729D+01 -0.263638D+01
      2   0.326399D+01 -0.147304D+01  0.302032D+00 -0.263638D+01  0.207237D+01
      3  -0.117464D+01  0.302032D+00 -0.122105D+01  0.637437D+00 -0.383676D+00
               276           277           278           279 
      1   0.637437D+00 -0.159705D+01  0.387778D+00 -0.173046D+01
      2  -0.383676D+00  0.387778D+00 -0.350660D+00  0.181817D-01
      3   0.550714D+00 -0.173046D+01  0.181817D-01 -0.397915D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.131781D+01 -0.354723D+01 -0.476256D-01 -0.336529D+01 -0.216912D+01
      2  -0.118074D+02  0.365051D+01 -0.196901D-01  0.150613D+02  0.306260D+01
      3  -0.958301D+01  0.430715D+02 -0.543358D+01  0.465299D+02  0.228453D+02
                 6             7             8             9            10 
      1  -0.253883D+00  0.433748D+01  0.709131D+01 -0.609704D+00 -0.166371D+01
      2   0.723042D-01 -0.220132D+02 -0.203043D+01 -0.157480D+01  0.146013D+02
      3   0.144880D+00 -0.175751D+01  0.162389D+01 -0.214977D+01  0.222914D+02
                11            12            13            14            15 
      1  -0.482668D+01 -0.248505D+00 -0.401629D+01  0.785743D+00  0.405031D+00
      2   0.734246D+01 -0.478266D+01 -0.864782D+01  0.100103D+01 -0.966335D-01
      3   0.527229D+02 -0.393757D+01  0.602367D+02  0.173025D+02  0.262438D+01
                16            17            18            19            20 
      1   0.314718D+01  0.674010D+01 -0.468549D+00 -0.219325D+01  0.470371D+00
      2  -0.209436D+02 -0.162752D+00 -0.159291D+01  0.213058D+02 -0.343151D+00
      3  -0.139489D+01  0.306589D+01  0.116617D+01  0.261270D+02 -0.300137D+02
                21            22            23            24            25 
      1  -0.935475D+00  0.178563D+01 -0.192326D+01 -0.275007D+01  0.445024D+01
      2  -0.668578D+00  0.502866D+01  0.574763D+00 -0.217688D+01 -0.186718D+02
      3   0.516773D+01  0.902500D+01  0.406092D+01  0.400318D+00  0.212442D+01
                26            27            28            29            30 
      1  -0.612662D+00 -0.128052D+01 -0.261415D+01 -0.866550D+00  0.666336D-01
      2  -0.728076D+01  0.469154D+00 -0.201867D+02 -0.633023D+00  0.107736D+01
      3  -0.179412D+01  0.425265D+01 -0.283838D+00  0.703829D+01 -0.122264D+01
                31            32            33            34            35 
      1  -0.458523D+01  0.580708D+01  0.175786D+01  0.211066D+01  0.140793D+02
      2   0.296510D+01 -0.113971D+01  0.199522D+01 -0.169537D+02 -0.218425D+01
      3   0.308462D+02  0.366439D+01 -0.112366D+01  0.366841D+00  0.147691D+01
                36            37            38            39            40 
      1  -0.116589D+01 -0.117563D+01  0.165526D+01 -0.508090D+01 -0.880658D+00
      2  -0.210191D+01  0.286989D+01  0.365669D+00  0.305110D+01 -0.707195D+01
      3  -0.194544D+01  0.324182D+02  0.136189D+01  0.636590D+00 -0.119997D+02
                41            42            43            44            45 
      1  -0.201071D+01  0.233880D+00 -0.156784D+02  0.919640D+01 -0.209099D+01
      2   0.133300D+01  0.290868D+00 -0.786454D+01  0.643479D+01 -0.123526D+01
      3   0.443727D+01  0.994299D+00  0.270339D+01  0.141902D+01  0.592252D+01
                46            47            48            49            50 
      1   0.378585D+01  0.129789D+01  0.459085D+01  0.253125D+01  0.103721D+01
      2  -0.450879D+01 -0.514723D+01  0.317059D+00 -0.410452D+01 -0.328307D+01
      3  -0.610833D+02 -0.343291D+02  0.502552D+00 -0.110119D+02 -0.234774D+02
                51            52            53            54            55 
      1  -0.302052D+01  0.579657D+01 -0.410057D+01  0.298636D+01  0.129715D+01
      2   0.840428D+00 -0.181052D+02  0.199775D+01 -0.192071D+01 -0.424940D+00
      3   0.570488D+00 -0.166393D+01 -0.137325D+01 -0.513875D+01 -0.321872D+02
                56            57            58            59            60 
      1   0.500397D+01  0.432202D+01 -0.204561D+00  0.101072D+01 -0.299918D+01
      2  -0.476405D+01 -0.604679D+01 -0.147519D+01 -0.663732D+00  0.336005D+01
      3  -0.359471D+02  0.372067D+01 -0.125722D+01 -0.255058D+02  0.109008D+01
                61            62            63            64            65 
      1   0.311905D+01 -0.358586D+01  0.139451D+01 -0.591785D+00  0.181236D-01
      2  -0.231553D+02  0.616483D+01 -0.428981D+01  0.332376D+00  0.480646D+00
      3   0.936845D+00 -0.233529D+01 -0.950225D+01  0.864408D+00  0.174050D-01
                66            67            68            69            70 
      1   0.836453D+00  0.623327D+00 -0.196832D+01 -0.403552D+01 -0.130794D-01
      2   0.115554D+00  0.954290D+00  0.153973D+00 -0.136360D+01 -0.212107D+01
      3   0.130115D+00  0.492880D+01  0.555403D+01 -0.642269D+00 -0.284305D+00
                71            72            73            74            75 
      1   0.260829D+01  0.446282D+00 -0.835071D+00  0.281401D+00 -0.312831D+01
      2   0.906934D+00 -0.907925D-02 -0.752507D+00 -0.729820D+00  0.245808D+01
      3  -0.751177D+00 -0.440698D+00  0.116768D+02 -0.356994D+00  0.765692D+00
                76            77            78            79            80 
      1   0.129377D+01  0.930722D+00 -0.272556D+01  0.183322D+01  0.107617D+01
      2  -0.148337D+01 -0.917613D+00  0.270864D+01 -0.262064D+01  0.260690D+00
      3   0.208249D+01 -0.179022D+01 -0.219337D+00  0.223562D+01 -0.115659D+00
                81            82            83            84            85 
      1   0.275826D+00  0.718967D+00 -0.647944D+00  0.109264D+01 -0.313926D+00
      2  -0.437557D+00 -0.426268D+00 -0.148160D-01  0.478053D+00  0.365804D+00
      3  -0.623418D+00 -0.484357D+01  0.175878D+01 -0.535346D+00  0.538352D+01
                86            87            88            89            90 
      1   0.258076D+01 -0.554570D+01 -0.112873D+01  0.198154D+01  0.356339D+00
      2  -0.326643D+00 -0.657857D+00 -0.804238D+00 -0.925076D+00  0.270556D+00
      3  -0.346399D+01  0.554371D+00 -0.106033D+01  0.100444D+01  0.986601D+00
                91            92            93            94            95 
      1  -0.147383D+01 -0.412625D+00 -0.920956D+00 -0.235001D+01  0.223549D+01
      2   0.150458D+02 -0.122430D+01 -0.630732D+01 -0.578793D+01 -0.215987D+01
      3   0.605455D+01 -0.713374D+01  0.173647D+01  0.883298D+01 -0.224375D+02
                96            97            98            99           100 
      1  -0.295274D+01 -0.403409D+01  0.308458D+01 -0.322204D+00  0.539147D+01
      2  -0.130663D+00 -0.357673D+02 -0.172896D+01  0.495949D+01  0.900832D+01
      3   0.387418D+01  0.382361D+01  0.334910D+01  0.526046D+01 -0.175299D+02
               101           102           103           104           105 
      1   0.518732D+00 -0.300965D+00 -0.180967D+01 -0.118717D+02 -0.385723D+01
      2  -0.319491D+01  0.218943D+02 -0.229019D+01  0.706960D+00  0.833003D+01
      3  -0.172275D+01 -0.264792D+01  0.390590D+01  0.249600D+02  0.873498D+00
               106           107           108           109           110 
      1   0.165083D+01  0.160336D+01  0.659237D+01  0.700945D+01  0.270377D+01
      2   0.161256D+02  0.675667D+01 -0.125058D+02 -0.155058D+02  0.950032D+00
      3  -0.463240D+01 -0.225245D+00 -0.859223D+01  0.323752D+01  0.147925D+02
               111           112           113           114           115 
      1   0.726648D+01  0.125628D+02 -0.832573D+00 -0.161539D+02  0.646294D+01
      2  -0.142596D+00  0.417055D+01 -0.816232D+00 -0.721286D+01  0.147307D+02
      3  -0.515868D+00  0.189665D+02  0.121071D+02 -0.292041D+01  0.122925D+01
               116           117           118           119           120 
      1  -0.560756D+01 -0.489702D+00 -0.428954D+00  0.485785D+00  0.213128D+00
      2  -0.134800D+01  0.656149D+00  0.144867D+01  0.465915D+00  0.312714D+01
      3  -0.228624D+01 -0.396147D+01  0.703156D+01 -0.154189D+01 -0.183102D+00
               121           122           123           124           125 
      1   0.815091D+00 -0.391044D+01 -0.238858D+01  0.272195D+00  0.872176D+00
      2   0.122453D+01  0.188653D+01 -0.535585D+01  0.199126D+01 -0.274240D+01
      3  -0.640086D+00  0.237250D+02 -0.319380D+01  0.548681D+00 -0.249640D+01
               126           127           128           129           130 
      1   0.508536D+00 -0.310658D+01  0.387561D+01 -0.170375D+00  0.315230D+01
      2   0.170278D+01 -0.107198D+02  0.197386D+01  0.724056D+01  0.183879D+01
      3   0.244437D+01  0.853208D+01 -0.920424D+01  0.151694D+01 -0.642162D+01
               131           132           133           134           135 
      1  -0.612746D+00 -0.397480D+00 -0.103522D+01  0.836862D+00 -0.987839D+00
      2  -0.950554D+00 -0.358674D+01  0.187693D+01 -0.105219D+01  0.361370D+00
      3   0.141267D+01 -0.170594D+01  0.106110D+01 -0.166284D+01  0.212212D+01
               136           137           138           139           140 
      1  -0.158584D+01 -0.264692D+01  0.724312D+00 -0.762499D+00 -0.618534D+00
      2   0.750655D+01  0.187422D+01 -0.147496D+02  0.173515D+01  0.410286D+01
      3   0.200931D+01  0.194689D+01 -0.836433D+00  0.140368D+01  0.356152D+00
               141           142           143           144           145 
      1   0.110734D+01  0.214617D-01  0.438621D+01 -0.277572D+01  0.256849D+01
      2  -0.733022D+01 -0.667073D+01 -0.371759D+01  0.308123D+02 -0.716368D+00
      3  -0.390466D+01  0.559620D+00 -0.344220D+01  0.357444D+01 -0.446757D+01
               146           147           148           149           150 
      1   0.775119D+00  0.430756D+00  0.100241D+01  0.143648D+02 -0.113322D+01
      2  -0.940111D+00 -0.107865D+01 -0.665882D+00  0.231353D+01  0.619719D+01
      3  -0.168039D+01 -0.888530D+00 -0.102501D+00 -0.279201D+02 -0.363437D+01
               151           152           153           154           155 
      1   0.667892D+00  0.792090D+00  0.116291D+01 -0.509292D+01 -0.296046D+01
      2  -0.110303D+01  0.171422D+01  0.143274D+01  0.751739D+01  0.109157D+01
      3  -0.215994D+01  0.529969D+00 -0.256798D+01 -0.137157D+02 -0.231533D+02
               156           157           158           159           160 
      1  -0.264942D+01 -0.867611D+01 -0.246337D+01  0.402522D+00 -0.278449D+00
      2   0.248703D+02 -0.411005D+01  0.157899D+01  0.826429D+01  0.617104D+01
      3   0.172994D+00 -0.175470D+02 -0.146085D+02  0.218176D+01  0.131270D+01
               161           162           163           164           165 
      1   0.339051D+01 -0.859669D+00 -0.769787D+01 -0.153169D+01 -0.248543D+00
      2   0.260971D+01  0.849102D+00  0.119370D+02  0.311340D+01  0.193782D+01
      3   0.194269D+01 -0.326045D+01 -0.103669D+02 -0.418449D+01  0.624455D+00
               166           167           168           169           170 
      1  -0.464933D+01  0.196829D+01  0.442128D+01  0.171867D+01  0.886374D+01
      2   0.450196D+01 -0.662425D+01  0.956017D+00 -0.916973D+01 -0.326503D+01
      3  -0.176474D+01  0.259220D+01  0.769020D+01 -0.799453D+00  0.346278D+01
               171           172           173           174           175 
      1  -0.370196D+01  0.667587D+01  0.156898D+01 -0.249989D+01  0.524379D+01
      2  -0.262350D+02 -0.233231D+02 -0.299171D+01 -0.682407D+01 -0.411133D+01
      3   0.437083D+01  0.104401D+02  0.248041D+01  0.163442D+00  0.613784D+01
               176           177           178           179           180 
      1  -0.695409D+00 -0.232992D+01 -0.301755D+01 -0.464990D+00  0.111678D+01
      2  -0.291414D+01 -0.175188D+01 -0.587567D+00 -0.332797D+00 -0.294572D+01
      3   0.986308D+00  0.159612D+01 -0.361683D+01 -0.399828D+00  0.157596D+01
               181           182           183           184           185 
      1   0.273930D+00 -0.386999D+01 -0.535913D+01 -0.123613D+00  0.105760D+01
      2   0.261151D+01  0.135320D+01  0.928920D+01  0.834549D+00  0.224521D+01
      3   0.170431D+02  0.814600D+01 -0.109544D+01 -0.161103D+02  0.777962D+01
               186           187           188           189           190 
      1  -0.959433D+00 -0.129774D+02  0.661472D+01 -0.259671D+01 -0.214134D+01
      2   0.286416D+01 -0.235112D+01  0.120458D+02  0.999070D-03  0.115235D+02
      3  -0.211633D+01  0.220791D+01 -0.835645D+00  0.414902D+00  0.246361D+02
               191           192           193           194           195 
      1  -0.493604D+01  0.153145D+01 -0.502839D+01 -0.928245D+00  0.298610D+01
      2   0.439188D+01  0.439292D+00  0.647297D+01  0.198287D+01  0.186910D-01
      3   0.240031D+02 -0.691661D+00  0.505457D+02  0.858743D+01  0.300686D+01
               196           197           198           199           200 
      1  -0.800867D+00  0.134518D+02 -0.173154D+01  0.344756D+00  0.466159D+01
      2   0.169045D+01 -0.502876D+01  0.232132D+01 -0.100011D+02 -0.586981D+01
      3  -0.378061D+01  0.290990D+01 -0.128524D+00 -0.256038D+01 -0.440512D+02
               201           202           203           204           205 
      1  -0.511744D+00  0.183410D+01  0.181952D+01 -0.281694D+01  0.570523D+01
      2   0.272143D+01 -0.617266D+01 -0.440232D+01 -0.441585D+01 -0.206315D+02
      3   0.348921D+01 -0.765483D+01 -0.127085D+02  0.184208D+01  0.254585D+01
               206           207           208           209           210 
      1   0.131901D+01  0.934466D+00  0.205143D+01  0.435644D+01 -0.175428D+01
      2  -0.162581D+02  0.177368D+01 -0.380978D+01 -0.384661D+01  0.157145D+02
      3   0.434666D+00  0.837875D+01 -0.147964D+02 -0.444310D+02  0.155146D+01
               211           212           213           214           215 
      1  -0.437128D+00 -0.161356D+01 -0.476310D+01 -0.283905D+01 -0.135683D+01
      2  -0.464660D+00  0.292228D+01  0.527428D+01 -0.559514D+01 -0.154804D+01
      3  -0.371978D+01  0.141901D+02 -0.233623D+01 -0.733614D+00 -0.496361D+01
               216           217           218           219           220 
      1   0.273030D+00  0.278586D+00 -0.173761D+01  0.167836D+01 -0.110188D+01
      2   0.755385D+00  0.743177D-01  0.445168D+01 -0.775743D+01  0.468826D+01
      3   0.312005D+01 -0.269769D+02  0.164103D+02 -0.561574D+01  0.356561D+02
               221           222           223           224           225 
      1  -0.626080D+00  0.346517D+01  0.128259D+02  0.503365D+01 -0.146261D+01
      2  -0.610164D+01 -0.400895D+02 -0.262330D+02 -0.295438D+02  0.762034D+01
      3   0.227645D+02  0.833085D+01 -0.490603D+01  0.596124D+01  0.296583D+02
               226           227           228           229           230 
      1   0.169918D+00 -0.124072D+00  0.100326D+01  0.546150D-01 -0.669948D+00
      2  -0.761336D+00  0.780236D+00  0.103004D+00  0.406940D+00 -0.214752D+01
      3  -0.651834D+01  0.397185D+01 -0.935995D+00  0.427182D+01 -0.207172D+02
               231           232           233           234           235 
      1  -0.493133D+01 -0.123967D+00  0.291092D+01  0.215039D+00 -0.116341D+01
      2   0.128665D+01 -0.255751D+00 -0.250635D+00 -0.750062D-03  0.242358D+01
      3   0.225826D+01 -0.964733D+00  0.295885D+01  0.120139D+00  0.553693D+01
               236           237           238           239           240 
      1  -0.364601D+00 -0.206507D+01  0.572230D-01 -0.144151D+00 -0.256203D+01
      2   0.336463D+00  0.239046D+01 -0.732765D-01  0.132376D+00  0.344396D+01
      3  -0.610850D+01  0.785164D+00 -0.526577D+01 -0.108838D+02  0.779110D-01
               241           242           243           244           245 
      1   0.246462D+01  0.102621D+01  0.257710D+00  0.110771D+00 -0.199296D+00
      2  -0.326043D+01 -0.279590D-02 -0.675972D+00  0.537021D+00 -0.717214D+00
      3   0.169852D+01  0.604396D+00 -0.111453D+01  0.370016D+01 -0.301921D+01
               246           247           248           249           250 
      1   0.104240D+01 -0.346505D+00  0.554869D-01 -0.433859D+01 -0.247965D+00
      2   0.130760D+01 -0.697901D+00  0.266711D+01 -0.362666D+01 -0.194267D+01
      3   0.548733D+00 -0.113843D+01  0.211720D+02 -0.225086D+01  0.614461D+00
               251           252           253           254           255 
      1   0.188583D+01  0.363567D+00 -0.399536D+00  0.236830D+00 -0.831107D-01
      2   0.165937D-01  0.353280D+00 -0.994464D+01 -0.280936D+01  0.333992D+01
      3  -0.241659D+01  0.158784D+00 -0.372741D+01 -0.279382D+01  0.270160D+01
               256           257           258           259           260 
      1   0.155803D+01  0.944426D+00 -0.287710D+01 -0.376524D+01  0.981889D+00
      2  -0.802599D+01 -0.915726D+01  0.163494D+02  0.191691D+02  0.156565D+02
      3  -0.118210D+02 -0.163860D+02  0.945802D+01  0.922390D+01  0.142077D+02
               261           262           263           264           265 
      1   0.443126D+01  0.125740D+01 -0.589180D-01  0.796780D+00 -0.549205D+00
      2  -0.323299D+02  0.613640D+01 -0.473084D-03 -0.328777D+00  0.715403D+01
      3  -0.158315D+02 -0.353359D+01 -0.840743D+00 -0.214728D+00 -0.135011D+02
               266           267           268           269           270 
      1   0.107609D+01 -0.259814D+01 -0.198327D+01  0.193044D+01 -0.271234D+01
      2   0.132364D+02  0.194257D+02  0.144255D+02  0.170858D+02  0.254959D+02
      3  -0.247326D+02 -0.150330D+02 -0.825414D+01 -0.171820D+02 -0.182116D+02
               271           272           273           274           275 
      1  -0.108798D+01  0.820743D+00  0.408761D+00  0.738163D+00 -0.756688D+00
      2   0.395695D+01 -0.125425D+01  0.943788D+01 -0.222013D+01  0.170411D+01
      3   0.229476D+02 -0.136909D+02  0.239968D+01 -0.165511D+02  0.137599D+02
               276           277           278           279 
      1  -0.993339D+00 -0.103371D+01  0.452646D+00  0.820401D-01
      2  -0.388263D+01  0.839470D+01  0.126275D+00  0.207077D+01
      3  -0.253801D+01  0.281600D+01 -0.267137D+01 -0.585034D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.960180D+02 -0.415631D+02 -0.116978D+01  0.963564D+02 -0.982401D+01
      2   0.469916D+02  0.230288D+02  0.760870D+00 -0.441497D+02  0.126831D+02
      3   0.490264D+02  0.185342D+02  0.408913D+00 -0.522067D+02 -0.285909D+01
      4  -0.332329D+02  0.381064D+01 -0.231407D+01 -0.315366D+01  0.952912D+01
      5   0.150232D+01 -0.200263D+01  0.334623D+00 -0.347392D+01 -0.334444D+01
      6   0.865593D+00  0.150932D+01  0.975258D-01 -0.377862D+01 -0.329120D+01
                 6             7             8             9            10 
      1   0.664334D+01 -0.199532D+02 -0.324047D+01 -0.116799D+02  0.760991D+02
      2  -0.472782D+01  0.866130D+01  0.166529D+01 -0.142138D+00 -0.241153D+02
      3  -0.191551D+01  0.112919D+02  0.157518D+01  0.118220D+02 -0.519838D+02
      4  -0.147363D+01 -0.228294D+01 -0.719418D+00  0.153937D-01  0.358619D+01
      5  -0.686381D+00  0.217010D+01  0.166506D+01 -0.152078D+01  0.249188D+01
      6   0.336126D-01 -0.285854D+01  0.433332D+01  0.145253D+00 -0.579292D+01
                11            12            13            14            15 
      1  -0.891773D+01  0.791374D+01 -0.117217D+03 -0.213693D+02 -0.692823D+01
      2   0.702493D+01 -0.225176D+01  0.523323D+02  0.196340D+02  0.122333D+01
      3   0.189280D+01 -0.566197D+01  0.648850D+02  0.173531D+01  0.570490D+01
      4  -0.313385D+01 -0.212151D+00 -0.176175D+02 -0.154190D+02  0.546826D+00
      5  -0.250999D+01 -0.909543D+01  0.519908D+01  0.268558D+01  0.855509D+00
      6  -0.971678D+00  0.358671D-01  0.260428D+01  0.408750D+00 -0.145112D+01
                16            17            18            19            20 
      1   0.200876D+02  0.732707D+00 -0.791989D+01  0.660576D+02  0.442054D+02
      2  -0.780990D+01 -0.107461D+01 -0.130357D+01 -0.267780D+02 -0.268921D+02
      3  -0.122777D+02  0.341905D+00  0.922346D+01 -0.392796D+02 -0.173133D+02
      4   0.248458D+01  0.523967D+00 -0.255438D+01  0.347399D+02 -0.889570D+01
      5  -0.110856D+01 -0.246580D+01 -0.202175D+01 -0.431395D+01  0.164190D+01
      6  -0.248277D+01  0.401648D+01  0.109279D+01 -0.365720D+01 -0.495954D+01
                21            22            23            24            25 
      1   0.384358D+01 -0.140199D+02  0.214906D+02 -0.153278D+01  0.797591D+01
      2  -0.119469D+01  0.217394D+02 -0.267105D+02  0.444139D+01 -0.457559D+01
      3  -0.264889D+01 -0.771952D+01  0.521991D+01 -0.290860D+01 -0.340032D+01
      4   0.241367D+01  0.146140D+02  0.280506D+01 -0.166202D+01  0.373343D+01
      5  -0.611508D+01 -0.117703D+01 -0.275987D+01 -0.753203D+01  0.105777D+02
      6   0.858934D+00 -0.480510D+01  0.463579D+01  0.477931D+01 -0.199724D+01
                26            27            28            29            30 
      1   0.439251D+01 -0.126875D+02  0.575624D+01 -0.339711D+01 -0.463437D+01
      2   0.322720D+01 -0.122852D+01 -0.264961D+02  0.221008D+01  0.611194D+00
      3  -0.761971D+01  0.139160D+02  0.207399D+02  0.118703D+01  0.402318D+01
      4  -0.303876D+01 -0.507329D+01 -0.216304D+02  0.101090D+02 -0.665967D+00
      5  -0.850279D+01  0.175427D-01  0.875989D+01  0.154133D+01  0.929284D+01
      6   0.120774D+02 -0.277083D+01  0.656069D+01  0.249633D+01 -0.234057D+01
                31            32            33            34            35 
      1  -0.473478D+02 -0.584656D+02  0.612694D+01 -0.154689D+00  0.413716D+01
      2   0.375479D+02  0.504692D+02 -0.664852D+01 -0.474345D+01 -0.501013D+01
      3   0.979991D+01  0.799640D+01  0.521584D+00  0.489814D+01  0.872967D+00
      4  -0.289548D+02  0.123761D+01 -0.109409D+01  0.512846D+01 -0.563481D+00
      5   0.627387D+01 -0.845311D+00  0.406925D+01  0.335323D+02  0.351355D+01
      6  -0.385628D+01  0.864314D+00 -0.326512D+01 -0.416764D+01  0.309273D+01
                36            37            38            39            40 
      1  -0.143586D+01 -0.169715D+02 -0.569718D+02  0.231987D+01  0.371988D+02
      2  -0.100321D+02  0.953071D+01  0.427665D+02 -0.157870D+01 -0.389977D+02
      3   0.114680D+02  0.744082D+01  0.142053D+02 -0.741169D+00  0.179888D+01
      4  -0.203944D+01 -0.983752D+01 -0.386951D+01 -0.596494D+00  0.799406D+01
      5  -0.627877D-01  0.183618D+01 -0.312135D+01  0.777705D+01  0.240462D+01
      6   0.190362D+01 -0.312819D+01  0.301725D+01  0.949004D+01  0.815582D+01
                41            42            43            44            45 
      1   0.350151D+02 -0.450225D+01 -0.801341D+01 -0.117641D+02 -0.969531D+01
      2  -0.309370D+02  0.163637D+01  0.687036D+01  0.793512D+01 -0.614600D+00
      3  -0.407803D+01  0.286588D+01  0.114305D+01  0.382899D+01  0.103099D+02
      4  -0.154494D+02  0.358467D+01 -0.201495D+01  0.221586D+01  0.833839D+01
      5   0.503326D+01  0.499843D+01  0.168829D+02  0.554202D+01  0.468040D+00
      6  -0.998288D+00  0.104769D+01  0.180892D+02  0.817160D+01  0.509268D+01
                46            47            48            49            50 
      1   0.254743D+02  0.407928D+02  0.128985D+01 -0.147381D+02  0.151011D+01
      2  -0.211488D+02 -0.311599D+02 -0.412355D+00  0.100335D+02 -0.133704D+02
      3  -0.432549D+01 -0.963284D+01 -0.877493D+00  0.470455D+01  0.118603D+02
      4   0.284763D+01 -0.607093D+01  0.941055D+00  0.692262D+01  0.101447D+02
      5  -0.509945D+01  0.304096D+01 -0.200779D+01 -0.176385D+00 -0.560727D+00
      6   0.371028D+01 -0.547038D+01 -0.662867D+01  0.780835D-01  0.736179D+01
                51            52            53            54            55 
      1  -0.435269D+01  0.570496D+01 -0.133227D+01 -0.223726D+02  0.285210D+02
      2   0.446498D+01 -0.473142D+01  0.419342D+01  0.107174D+02 -0.204228D+02
      3  -0.112287D+00 -0.973545D+00 -0.286114D+01  0.116552D+02 -0.809814D+01
      4  -0.117477D+01  0.138718D+00 -0.379183D+01 -0.174945D+01  0.225298D+02
      5  -0.140616D+00  0.414674D+01  0.120388D+01 -0.209995D+01  0.332016D+01
      6   0.741738D+01 -0.220644D+01  0.226093D+02 -0.172475D+01  0.252664D+01
                56            57            58            59            60 
      1   0.518533D+02 -0.687569D+00  0.879738D+01  0.241617D+02 -0.463704D+01
      2  -0.332834D+02 -0.755394D+00 -0.131829D+01 -0.243778D+02  0.568159D+01
      3  -0.185699D+02  0.144296D+01 -0.747909D+01  0.216104D+00 -0.104455D+01
      4  -0.406734D+02  0.410978D+01  0.293538D+02  0.153855D+02  0.175334D+01
      5   0.535915D+01 -0.134753D+02 -0.296297D+01  0.101205D+01  0.490510D+01
      6  -0.204881D+01 -0.807885D+01 -0.462071D+00  0.626855D+01  0.686324D+01
                61            62            63            64            65 
      1   0.276973D+01 -0.170774D+01 -0.204297D+02 -0.804320D+00  0.300731D+01
      2  -0.169965D+01  0.679470D+01  0.743093D+01  0.378571D+01 -0.422485D+01
      3  -0.107008D+01 -0.508695D+01  0.129988D+02 -0.298139D+01  0.121754D+01
      4  -0.258704D+01 -0.371573D+01  0.145580D+02 -0.522382D+01  0.991542D+01
      5   0.249849D+01  0.169244D+02 -0.756936D+01  0.123703D+01 -0.169896D+01
      6   0.263564D+01  0.211799D+02 -0.436829D+01 -0.185171D+01  0.169678D+01
                66            67            68            69            70 
      1  -0.425113D+00  0.759929D+01 -0.329570D+02  0.508538D+01  0.167100D+00
      2   0.248001D+00 -0.102991D+02  0.395106D+02 -0.372557D+01  0.203323D+00
      3   0.177112D+00  0.269985D+01 -0.655358D+01 -0.135980D+01 -0.370423D+00
      4  -0.137271D+01  0.107416D+02 -0.186596D+02  0.238829D+01 -0.164072D+01
      5   0.146789D+01 -0.193899D+01  0.153376D+01 -0.252428D+01  0.446481D-01
      6  -0.118964D+01  0.296841D+01 -0.972252D+01  0.748519D+01 -0.169430D+01
                71            72            73            74            75 
      1   0.364020D+01 -0.396106D+01  0.107464D+02 -0.136553D+01  0.334193D+00
      2  -0.389007D+01  0.369087D+01 -0.462091D-02  0.851526D+01 -0.653688D+00
      3   0.249871D+00  0.270193D+00 -0.107418D+02 -0.714973D+01  0.319495D+00
      4   0.279139D+01 -0.882341D+00  0.257927D+02  0.195825D+02  0.352102D-01
      5  -0.461198D-01  0.593521D+00  0.281336D+01  0.263115D+00  0.505103D+01
      6   0.364052D+01 -0.208162D+01  0.183314D+01  0.953170D+00  0.283653D+01
                76            77            78            79            80 
      1  -0.300502D+01 -0.926631D+01 -0.144009D+00  0.190696D+01  0.666681D+00
      2   0.125385D+02  0.188783D+02 -0.957254D-01 -0.205611D+01 -0.100768D+01
      3  -0.953351D+01 -0.961200D+01  0.239734D+00  0.149150D+00  0.340998D+00
      4   0.255357D+02  0.257061D+02 -0.278007D+00 -0.125008D+01 -0.139661D+01
      5  -0.702285D-01  0.169953D-01  0.372343D+01  0.278078D+00  0.172762D+01
      6   0.828324D+00  0.149124D+01  0.454705D+01 -0.914524D+00  0.221680D+01
                81            82            83            84            85 
      1   0.387197D+00 -0.444954D+01  0.730971D+01 -0.127573D+01  0.314548D+01
      2   0.486449D+00  0.660824D+01 -0.978856D+01  0.117042D+01 -0.358446D+01
      3  -0.873646D+00 -0.215870D+01  0.247886D+01  0.105310D+00  0.438979D+00
      4   0.208345D+01 -0.282175D+01  0.113704D+02 -0.953403D+00  0.693318D+01
      5  -0.516674D+00 -0.385060D+00 -0.864754D-01  0.177068D+01 -0.205697D+00
      6  -0.568029D+00 -0.486848D+00  0.121505D+01 -0.149557D+01  0.574335D-01
                86            87            88            89            90 
      1  -0.540173D+02  0.520345D+01 -0.120363D+01  0.668599D+01 -0.293037D+01
      2   0.712165D+02 -0.569034D+01  0.118675D+01 -0.799994D+01  0.311507D+01
      3  -0.171992D+02  0.486897D+00  0.168848D-01  0.131395D+01 -0.184697D+00
      4  -0.889956D+01  0.524573D+00 -0.827161D+00  0.144691D+01 -0.146863D+01
      5  -0.182758D+01 -0.428258D+00  0.792348D+00 -0.108914D+01  0.348688D+00
      6  -0.439654D+01  0.863821D+01  0.467364D+00  0.358916D+01 -0.179022D+01
                91            92            93            94            95 
      1  -0.157048D+02 -0.425276D+01  0.109969D+02 -0.445390D+01  0.143467D+02
      2   0.231804D+02  0.499512D+01  0.947276D+00  0.864273D+01 -0.199274D+02
      3  -0.747558D+01 -0.742363D+00 -0.119441D+02 -0.418883D+01  0.558071D+01
      4   0.401584D+00  0.218805D+01 -0.442713D+01 -0.287244D+01  0.385580D+02
      5  -0.812861D+00 -0.557611D+01 -0.205240D+02 -0.219034D+02 -0.333962D+01
      6  -0.584023D+01 -0.255131D+01 -0.880786D+00  0.609208D+00  0.925852D+01
                96            97            98            99           100 
      1  -0.129211D+02  0.511311D+01 -0.542146D+01 -0.236458D+02 -0.604905D+02
      2   0.145195D+02  0.333956D+01  0.472550D+01  0.162251D+02  0.338002D+02
      3  -0.159846D+01 -0.845267D+01  0.695964D+00  0.742067D+01  0.266903D+02
      4  -0.316642D+01 -0.101343D+02 -0.435716D+01 -0.261663D+01  0.266031D+02
      5  -0.267114D+01 -0.586792D+02 -0.500113D+01 -0.252289D+01 -0.360706D+02
      6  -0.122376D+01 -0.320296D+00 -0.627869D+00 -0.416016D+01  0.130985D+02
               101           102           103           104           105 
      1   0.190057D+02 -0.335366D+02  0.347689D+02  0.472077D+00 -0.678302D+00
      2  -0.991217D+01  0.277322D+01 -0.260840D+02 -0.683807D+01 -0.103260D+02
      3  -0.909352D+01  0.307634D+02 -0.868493D+01  0.636599D+01  0.110043D+02
      4  -0.122018D+01  0.358476D+01 -0.526572D+01 -0.408654D+02 -0.235509D+01
      5   0.820696D+01  0.177208D+02  0.226688D+02 -0.117484D+01  0.166471D+02
      6  -0.815445D-01  0.518247D+00 -0.860391D-01 -0.175855D+02 -0.147891D-01
               106           107           108           109           110 
      1  -0.736999D+01 -0.329213D+01  0.371240D+02 -0.105421D+03 -0.142305D+02
      2  -0.124822D+02 -0.445432D+01 -0.105322D+02  0.476415D+02  0.230550D+01
      3   0.198522D+02  0.774645D+01 -0.265918D+02  0.577793D+02  0.119250D+02
      4   0.536965D+01  0.148360D+01  0.139511D+02 -0.223773D+02 -0.176321D+02
      5   0.403413D+02  0.133208D+02  0.109220D+02  0.224166D+02  0.857621D+01
      6   0.411124D+01  0.161245D+01  0.113685D+02  0.702553D+01  0.112080D+01
               111           112           113           114           115 
      1   0.126105D+02 -0.285811D+02 -0.990868D+01  0.799147D+01 -0.287624D+02
      2  -0.627358D+01  0.844299D+01  0.108047D+02 -0.403336D+01  0.224936D+02
      3  -0.633687D+01  0.201381D+02 -0.896051D+00 -0.395811D+01  0.626875D+01
      4   0.606314D+01  0.327726D+01 -0.170116D+02  0.957928D+00  0.628840D+01
      5  -0.975535D+01  0.156875D+02  0.238839D+01 -0.488893D+01  0.315249D+02
      6  -0.346360D+01  0.244946D+01  0.918527D+00  0.123302D+01  0.991969D+00
               116           117           118           119           120 
      1   0.655521D+01  0.310019D+02 -0.687470D+01 -0.627127D+01 -0.492830D+00
      2  -0.289870D+01 -0.856255D+01  0.852774D+01  0.250018D+01  0.313775D+00
      3  -0.365651D+01 -0.224394D+02 -0.165304D+01  0.377109D+01  0.179055D+00
      4  -0.865623D+00  0.327030D+01 -0.854645D+01  0.735030D+01 -0.578168D+00
      5   0.394921D+01 -0.765726D+01  0.399111D+00 -0.103752D+01  0.721454D+01
      6  -0.546869D+01 -0.455548D+01 -0.234245D+01  0.801453D+00 -0.267521D+00
               121           122           123           124           125 
      1  -0.986255D+01 -0.181034D+02  0.555107D+01 -0.218254D+01  0.207472D+01
      2   0.952697D+00  0.303179D+02 -0.437415D+01  0.166021D+01 -0.680957D+00
      3   0.890985D+01 -0.122145D+02 -0.117692D+01  0.522326D+00 -0.139376D+01
      4   0.164290D+02 -0.460792D+02  0.590853D+01 -0.427443D+00  0.460073D+01
      5  -0.171893D+01  0.558707D+01 -0.122078D+02  0.949347D+01 -0.579323D+01
      6   0.214303D+01 -0.105978D+02  0.667162D+01 -0.198725D+01  0.669384D+01
               126           127           128           129           130 
      1  -0.560584D+00  0.105272D+03 -0.133919D+02  0.205577D+02 -0.253266D+02
      2   0.282645D+00 -0.637237D+02  0.686205D+01 -0.179876D+02  0.147278D+02
      3   0.277938D+00 -0.415486D+02  0.652989D+01 -0.257016D+01  0.105988D+02
      4  -0.615278D+01 -0.202396D+02  0.163059D+02 -0.407446D+01  0.201618D+02
      5   0.482530D+01  0.613924D+02 -0.666653D+01  0.301106D+02 -0.178155D+02
      6  -0.225295D+01 -0.800570D+01  0.657006D+01 -0.204660D+01  0.731502D+01
               131           132           133           134           135 
      1   0.107113D+02 -0.374536D+01  0.989272D+01 -0.457467D+00  0.595679D+01
      2  -0.393031D+01  0.535809D+01 -0.895527D+01  0.161438D+01 -0.737471D+01
      3  -0.678100D+01 -0.161273D+01 -0.937455D+00 -0.115692D+01  0.141792D+01
      4  -0.540322D+01  0.505008D+01 -0.226122D+01  0.189156D+01 -0.437607D+01
      5   0.702344D+01 -0.110747D+02  0.171588D+02 -0.448792D+01  0.900741D+01
      6  -0.190252D+01  0.332344D+01 -0.237923D+01  0.156327D+01 -0.198779D+01
               136           137           138           139           140 
      1  -0.604772D+01 -0.461618D+01  0.234777D+02 -0.685267D+01 -0.672840D+01
      2  -0.403345D+00  0.130132D+01  0.258538D+01  0.454772D+01  0.143874D+01
      3   0.645106D+01  0.331485D+01 -0.260631D+02  0.230494D+01  0.528966D+01
      4  -0.329365D+01 -0.340505D+01  0.145000D+01  0.204255D+01 -0.522234D+00
      5   0.507908D+00 -0.712997D+00 -0.134141D+02 -0.501100D+01  0.533589D+01
      6  -0.228177D+01 -0.395697D+01  0.251198D+01  0.188372D+00 -0.273853D+01
               141           142           143           144           145 
      1   0.791610D+01  0.109780D+02  0.418772D+01 -0.405042D+02  0.912711D+01
      2   0.288179D+01 -0.403954D+01  0.149733D+01 -0.146336D+02 -0.269356D+01
      3  -0.107979D+02 -0.693844D+01 -0.568504D+01  0.551378D+02 -0.643355D+01
      4   0.711703D+01 -0.280698D+00  0.707733D+01 -0.729143D+01  0.591435D+01
      5  -0.115622D+02  0.642850D+01 -0.496390D+01  0.408749D+02  0.470500D+01
      6   0.886579D+01 -0.384367D+00  0.771907D+01 -0.720083D+01  0.166641D+01
               146           147           148           149           150 
      1   0.509279D+01  0.455449D+01  0.136323D+02 -0.450287D+01 -0.150952D+01
      2  -0.179739D+01 -0.644358D+00 -0.703789D+01  0.140009D+02 -0.322765D+01
      3  -0.329541D+01 -0.391014D+01 -0.659439D+01 -0.949799D+01  0.473718D+01
      4   0.731623D+01  0.726095D+00  0.158551D+02  0.514187D+02  0.956175D+01
      5   0.213563D+01 -0.288153D+00  0.131650D+02  0.981036D+01  0.151536D+02
      6   0.198251D+01  0.138365D+00  0.598747D+01  0.244869D+02  0.856249D+01
               151           152           153           154           155 
      1  -0.986145D+00 -0.133078D+01 -0.547157D+01  0.206930D+03  0.220724D+02
      2   0.143447D+01 -0.902130D+00  0.133995D+01 -0.997200D+02 -0.824448D+01
      3  -0.448321D+00  0.223291D+01  0.413161D+01 -0.107210D+03 -0.138279D+02
      4   0.293560D+00  0.631831D+00  0.395634D+01  0.228346D+02  0.356613D+02
      5  -0.508976D+00  0.410080D+01  0.722792D+00 -0.402452D+02 -0.503247D+01
      6   0.849882D+00  0.468135D+01  0.172342D+01 -0.526580D+01 -0.480408D+01
               156           157           158           159           160 
      1  -0.114699D+02  0.327675D+02  0.342680D+02 -0.270827D+01 -0.116160D+02
      2   0.107273D+02 -0.140953D+02 -0.130031D+02  0.259310D+01  0.102538D+02
      3   0.742560D+00 -0.186722D+02 -0.212649D+02  0.115172D+00  0.136213D+01
      4  -0.209538D+01  0.489850D+02  0.258841D+02 -0.433758D+01 -0.364733D+01
      5   0.424751D+02 -0.971117D+01 -0.892829D+01  0.111577D+02  0.358407D+02
      6  -0.683932D-01 -0.985513D+01 -0.489575D+01  0.541991D+01  0.229987D+01
               161           162           163           164           165 
      1  -0.222992D+01  0.189776D+02  0.587541D+02  0.462136D+01 -0.174110D+02
      2   0.163217D+01 -0.142365D+02 -0.416371D+02 -0.155912D+01  0.108359D+02
      3   0.597746D+00 -0.474115D+01 -0.171170D+02 -0.306224D+01  0.657510D+01
      4  -0.187539D+01  0.467428D+01 -0.148945D+01  0.815818D+01  0.413951D+01
      5   0.649186D+01 -0.705687D+01 -0.384412D+02  0.195129D+01  0.206364D+02
      6   0.445475D+01 -0.157437D+01  0.100581D+01 -0.146015D+01 -0.115707D+01
               166           167           168           169           170 
      1   0.157458D+02 -0.913128D+01 -0.372703D+01  0.726901D+01 -0.329530D+01
      2  -0.837803D+01  0.342744D+01  0.254113D+01 -0.185652D+01  0.746496D+00
      3  -0.736776D+01  0.570384D+01  0.118590D+01 -0.541249D+01  0.254881D+01
      4   0.389005D+01 -0.525995D+01 -0.126828D+02  0.584902D+01 -0.732233D+01
      5  -0.496369D+01 -0.119763D+02 -0.214814D+00  0.132936D+02 -0.791525D+01
      6  -0.137072D+01  0.480345D+01  0.124490D+02 -0.412236D+01  0.131499D+02
               171           172           173           174           175 
      1  -0.385758D+02 -0.542106D+02 -0.629418D+01 -0.698486D+01 -0.994687D+01
      2  -0.100374D+02  0.349473D+02  0.301744D+01 -0.524750D+01  0.603309D+01
      3   0.486133D+02  0.192633D+02  0.327675D+01  0.122324D+02  0.391378D+01
      4  -0.949896D+01  0.238748D+01 -0.550084D+01 -0.353822D+01  0.105241D+01
      5  -0.447229D+02  0.293394D+02 -0.198179D+01 -0.178187D+02  0.325396D+01
      6   0.107325D+02 -0.318628D+00  0.468999D+01  0.443844D+01  0.188668D+00
               176           177           178           179           180 
      1  -0.655532D+01 -0.249114D+01  0.120459D+02 -0.831748D+00 -0.102624D+02
      2   0.431928D+01  0.773830D+00 -0.138718D+02  0.350934D+00  0.540059D+01
      3   0.223604D+01  0.171731D+01  0.182591D+01  0.480814D+00  0.486179D+01
      4  -0.273788D+01 -0.385179D+01 -0.234534D+01  0.823404D+00  0.930460D+00
      5  -0.288183D+01 -0.258402D+01 -0.136050D+02  0.647698D+00  0.377267D+01
      6   0.275461D+01  0.409948D+01  0.357375D+01  0.967210D+00  0.161198D+00
               181           182           183           184           185 
      1  -0.384926D+01 -0.496509D+02  0.286393D+01  0.929281D+02  0.202673D+02
      2   0.366145D+01  0.352568D+02  0.144922D+00 -0.639391D+02 -0.185510D+02
      3   0.187808D+00  0.143940D+02 -0.300885D+01 -0.289890D+02 -0.171629D+01
      4  -0.124095D+02  0.459906D+02 -0.659580D+01  0.112149D+02 -0.348400D+02
      5  -0.585298D+01 -0.869737D+01  0.199883D+02  0.612060D+01  0.684248D+01
      6  -0.388530D+01 -0.254975D+01  0.112724D+02  0.600752D+01  0.252961D+01
               186           187           188           189           190 
      1   0.366777D+01 -0.143659D+02 -0.810621D+01  0.352614D+01  0.123973D+03
      2  -0.255466D+01  0.126668D+02  0.672910D+01 -0.883497D+01 -0.630473D+02
      3  -0.111311D+01  0.169908D+01  0.137711D+01  0.530884D+01 -0.609259D+02
      4   0.764698D+01 -0.173007D+01  0.109009D+02  0.179375D+02  0.260813D+01
      5   0.772215D+01  0.316880D+02  0.170856D+02 -0.268352D+01 -0.311270D+01
      6   0.263485D+01  0.157353D+02  0.883635D+01  0.288870D+01 -0.146705D+01
               191           192           193           194           195 
      1   0.214310D+02  0.461764D+01 -0.366921D+02 -0.160339D+02  0.166778D+01
      2  -0.106992D+02 -0.123479D+01  0.349171D+02  0.239621D+02 -0.368395D+01
      3  -0.107318D+02 -0.338284D+01  0.177502D+01 -0.792827D+01  0.201617D+01
      4   0.287723D+02 -0.209232D+01 -0.106076D+02  0.546254D+02 -0.719092D+01
      5  -0.180673D+01  0.212333D+01  0.493553D+01 -0.611343D+01  0.363854D-01
      6  -0.263701D+01 -0.373623D+01 -0.633457D+01 -0.379795D+01 -0.404937D+01
               196           197           198           199           200 
      1   0.549449D+01  0.591079D+01  0.256207D+02 -0.123775D+03 -0.733217D+01
      2  -0.532928D+01 -0.500970D+01 -0.225752D+02  0.498617D+02  0.177827D+00
      3  -0.165208D+00 -0.901094D+00 -0.304548D+01  0.739132D+02  0.715435D+01
      4   0.744555D+01 -0.381149D+01 -0.161148D+01 -0.949651D+01 -0.295013D+02
      5   0.527807D+02  0.258552D+01  0.393731D+01 -0.284523D+01  0.682205D+01
      6  -0.115131D+01  0.433793D+01  0.145168D+01  0.665995D+01  0.186444D-01
               201           202           203           204           205 
      1  -0.624403D+01 -0.783074D+02 -0.544866D+01 -0.644916D+01 -0.275868D+00
      2   0.295314D+01  0.486212D+02 -0.111231D+02  0.583837D+01 -0.212173D+01
      3   0.329089D+01  0.296863D+02  0.165718D+02  0.610783D+00  0.239759D+01
      4   0.512890D+01 -0.105605D+01 -0.158170D+02 -0.236307D+01  0.182405D+01
      5   0.328468D+01 -0.210072D+01 -0.310233D+01 -0.969654D+01  0.180718D+01
      6   0.420243D+00 -0.148612D+01  0.631146D+01  0.530527D+01 -0.242497D+01
               206           207           208           209           210 
      1   0.340143D+00 -0.221405D+02  0.144322D+02 -0.257923D+02 -0.553918D+00
      2   0.399955D+01  0.389374D+01 -0.101633D+02  0.131550D+02 -0.146222D+01
      3  -0.433969D+01  0.182468D+02 -0.426896D+01  0.126373D+02  0.201614D+01
      4  -0.756245D+01 -0.228966D+02 -0.206007D+02  0.119746D+02  0.436427D+00
      5  -0.250024D+02  0.337157D+01  0.346811D+01  0.860646D+00  0.308400D+02
      6   0.165480D+02 -0.984898D+00  0.515956D+00  0.241454D+01  0.397821D+01
               211           212           213           214           215 
      1   0.163315D+02  0.170400D+02 -0.182143D+01 -0.235534D+01 -0.309692D+01
      2  -0.144858D+02 -0.553804D+01  0.174242D+01 -0.359741D-01  0.253216D+01
      3  -0.184576D+01 -0.115019D+02  0.790043D-01  0.239131D+01  0.564759D+00
      4   0.459636D+02 -0.182725D+02  0.498722D+01 -0.467801D+01  0.129316D+01
      5  -0.491693D+01  0.300718D+01  0.856092D+01  0.111564D+02 -0.547713D+01
      6   0.229809D+01 -0.316971D+00  0.817834D+01 -0.369014D+01  0.479416D+01
               216           217           218           219           220 
      1   0.180576D+01 -0.429377D+02  0.512801D+02 -0.539908D+01  0.330998D+02
      2  -0.197634D+00  0.251263D+02 -0.264255D+02  0.322556D+01 -0.122777D+02
      3  -0.160813D+01  0.178114D+02 -0.248547D+02  0.217352D+01 -0.208222D+02
      4  -0.666501D+01  0.491946D+02 -0.809054D+01  0.769252D+01 -0.476441D+02
      5   0.386012D+01 -0.603227D+01  0.808886D+01 -0.203613D+02  0.114569D+02
      6  -0.177368D+01  0.299824D+01 -0.236969D+00 -0.308973D+01 -0.369976D+01
               221           222           223           224           225 
      1  -0.198214D+02  0.148822D+02 -0.559350D+00  0.128964D+02 -0.152583D+02
      2   0.114741D+02 -0.634200D+01 -0.122312D+01 -0.623083D+01  0.879390D+01
      3   0.834735D+01 -0.854021D+01  0.178247D+01 -0.666558D+01  0.646439D+01
      4  -0.225293D+02 -0.143506D+02  0.106924D+02 -0.912816D+01 -0.516544D+02
      5  -0.132199D+02 -0.777090D+02 -0.414178D+02 -0.531273D+02  0.152601D+02
      6  -0.407793D+01 -0.142941D+02 -0.133761D+02 -0.106141D+02 -0.143004D+01
               226           227           228           229           230 
      1  -0.410373D+01  0.131444D+02 -0.197248D+01  0.253423D+01 -0.520584D+02
      2   0.552784D+01 -0.119087D+02  0.134962D+01 -0.871593D+00  0.656366D+02
      3  -0.142411D+01 -0.123573D+01  0.622859D+00 -0.166264D+01 -0.135782D+02
      4   0.275156D+01  0.499095D+01 -0.298520D-01  0.471436D+01  0.269861D+02
      5  -0.584481D+00  0.186172D+00  0.109427D+01 -0.411191D+00 -0.528226D+01
      6  -0.101919D+01  0.198403D+01 -0.149594D+01 -0.309244D+00 -0.987745D+01
               231           232           233           234           235 
      1   0.579749D+01 -0.760394D+00  0.661772D+01 -0.272919D+01  0.490006D+02
      2  -0.535506D+01  0.430091D+00 -0.718941D+01  0.283437D+01 -0.186310D+02
      3  -0.442432D+00  0.330303D+00  0.571694D+00 -0.105175D+00 -0.303695D+02
      4  -0.316326D+01  0.508855D-02 -0.291834D+01 -0.819164D+00  0.367310D+02
      5   0.343110D+01  0.170348D+01 -0.908504D-01 -0.917455D-01 -0.584448D+00
      6   0.871070D+01 -0.103629D+00  0.384392D+01 -0.178155D+01  0.213036D+00
               236           237           238           239           240 
      1   0.150257D+02  0.172955D+01  0.225275D+02  0.105228D+02 -0.287335D+00
      2  -0.937011D+00 -0.866335D+00 -0.520133D+00  0.788882D+01  0.302795D+00
      3  -0.140887D+02 -0.863219D+00 -0.220074D+02 -0.184116D+02 -0.154604D-01
      4   0.276816D+02 -0.368751D-01  0.401729D+02  0.389219D+02 -0.740492D+00
      5  -0.143847D+01  0.438144D+01 -0.327884D+01 -0.266948D+01  0.577814D+01
      6  -0.203619D+00  0.227759D+01 -0.133016D+01 -0.897743D+00  0.419167D+01
               241           242           243           244           245 
      1   0.193859D+01 -0.165517D+00 -0.111368D+01 -0.298327D+01 -0.501645D+01
      2  -0.194586D+01 -0.509056D+00  0.980959D+00  0.595417D+01 -0.190170D+01
      3   0.727208D-02  0.674573D+00  0.132722D+00 -0.297089D+01  0.691815D+01
      4  -0.152529D+01 -0.169509D+01  0.159025D+01 -0.155807D+02  0.178983D+02
      5  -0.187739D+01  0.107991D+01 -0.624221D+00  0.113264D+01 -0.179635D+01
      6  -0.968592D+00  0.123725D+01 -0.499008D+00 -0.965816D+00  0.133649D+01
               246           247           248           249           250 
      1   0.488695D-01 -0.204178D+01 -0.218406D+02  0.259415D+01 -0.247704D+00
      2   0.245038D+00 -0.845190D+01  0.380418D+02 -0.308409D+01  0.810283D+00
      3  -0.293907D+00  0.104937D+02 -0.162012D+02  0.489936D+00 -0.562579D+00
      4  -0.254802D+01  0.250403D+02 -0.535334D+02  0.607584D+01 -0.346627D+01
      5   0.291553D+01 -0.206450D+01  0.358529D+01 -0.647673D+01  0.225758D+01
      6  -0.161842D+01  0.182980D+01 -0.527237D+01  0.749517D+01 -0.245371D+01
               251           252           253           254           255 
      1   0.176408D+01 -0.163047D+01  0.196416D+02  0.463156D+01 -0.158513D+02
      2  -0.339839D+01  0.275231D+01 -0.105022D+02 -0.195256D+01  0.775724D+01
      3   0.163431D+01 -0.112184D+01 -0.913941D+01 -0.267900D+01  0.809406D+01
      4   0.682594D+01 -0.195681D+01  0.579079D+01  0.505542D+01 -0.724483D+01
      5  -0.690817D+00  0.114996D+01 -0.191035D+02 -0.699288D+01  0.867074D+01
      6   0.318209D+01 -0.179115D+01 -0.264366D+01 -0.910595D+00  0.273098D+00
               256           257           258           259           260 
      1   0.248397D+02  0.122133D+02 -0.112834D+02 -0.570711D+02 -0.113412D+02
      2  -0.126573D+02 -0.400714D+01  0.483628D+01  0.330284D+02  0.553141D+01
      3  -0.121825D+02 -0.820620D+01  0.644715D+01  0.240427D+02  0.580978D+01
      4   0.281984D+02  0.248070D+02 -0.175434D+02 -0.226777D+02 -0.220216D+02
      5  -0.207134D+02 -0.183305D+02  0.324322D+02  0.496670D+02  0.289761D+02
      6  -0.403255D+01 -0.447733D+01  0.779447D+01  0.832223D+01  0.748153D+01
               261           262           263           264           265 
      1   0.200734D+02  0.499938D+01  0.481326D+01  0.126869D+02  0.273108D+02
      2  -0.173661D+02 -0.308497D+01 -0.222584D+01 -0.573264D+01 -0.143546D+02
      3  -0.270722D+01 -0.191442D+01 -0.258741D+01 -0.695427D+01 -0.129563D+02
      4   0.275144D+02  0.427376D+01  0.306154D+01  0.322609D+01  0.326392D+02
      5  -0.631779D+02  0.124098D+02  0.293488D+01  0.210553D+01  0.219673D+02
      6  -0.806375D+01  0.206003D+01  0.550982D-01 -0.612436D+00  0.776676D+01
               266           267           268           269           270 
      1   0.935731D+01  0.600391D+01  0.381784D+02  0.415702D+01  0.104342D+02
      2  -0.171372D+01 -0.392810D+01 -0.226088D+02 -0.314041D+01 -0.138116D+02
      3  -0.764359D+01 -0.207580D+01 -0.155695D+02 -0.101661D+01  0.337734D+01
      4   0.386602D+02  0.280795D+02  0.200476D+02  0.276766D+02  0.319475D+02
      5   0.275558D+02  0.389333D+02  0.405650D+02  0.323246D+02  0.496186D+02
      6   0.102940D+02  0.113107D+02  0.968188D+01  0.106351D+02  0.116535D+02
               271           272           273           274           275 
      1   0.172517D+03 -0.388845D+02  0.141249D+02 -0.813598D+02  0.293511D+02
      2  -0.889034D+02  0.196264D+02 -0.828417D+01  0.407641D+02 -0.130659D+02
      3  -0.836141D+02  0.192581D+02 -0.584075D+01  0.405957D+02 -0.162852D+02
      4  -0.469527D+02  0.237582D+02 -0.428824D+01  0.399360D+02 -0.281161D+02
      5   0.176485D+02 -0.416742D+01  0.188091D+02 -0.851871D+01  0.493913D+01
      6  -0.178737D+01  0.980885D+00 -0.977470D+00  0.182691D+01 -0.125804D+01
               276           277           278           279 
      1  -0.693406D+01  0.184243D+02 -0.466787D+01  0.166242D+02
      2   0.400612D+01 -0.108836D+02  0.269952D+01 -0.993375D+01
      3   0.292794D+01 -0.754071D+01  0.196835D+01 -0.669046D+01
      4   0.514169D+01 -0.552394D+01  0.460025D+01 -0.146054D+01
      5  -0.800701D+01  0.250629D+02 -0.123096D+01  0.547433D+01
      6   0.244990D+01 -0.182091D+01  0.300325D+01 -0.571389D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x         -0.230125D+01     -0.584919D+01     -0.195108D+02
   y         -0.769776D+00     -0.195658D+01     -0.652643D+01
   z          0.694496D+00      0.176523D+01      0.588819D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.285439D+03      0.422977D+02      0.470626D+02
   yx         0.118832D+02      0.176091D+01      0.195927D+01
   yy         0.155815D+03      0.230894D+02      0.256904D+02
   zx         0.111858D+02      0.165757D+01      0.184430D+01
   zy        -0.358322D+01     -0.530979D+00     -0.590794D+00
   zz         0.112258D+03      0.166350D+02      0.185089D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.207554D+03      0.307564D+02      0.342211D+02
   aniso      0.183422D+03      0.271803D+02      0.302421D+02
   xx         0.324496D+03      0.480853D+02      0.535021D+02
   yx         0.152539D+02      0.226040D+01      0.251503D+01
   yy         0.172958D+03      0.256297D+02      0.285169D+02
   zx         0.118963D+02      0.176285D+01      0.196143D+01
   zy        -0.371691D+01     -0.550790D+00     -0.612836D+00
   zz         0.125209D+03      0.185541D+02      0.206442D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.18474142         -0.64475023          1.73320729
     6         -0.89168385          1.80444316          1.39979716
     6          1.49703414         -1.78039585         -0.30401038
     6          1.76851855         -0.58177663         -2.58842635
     6          0.68214417          1.85281580         -2.90393461
     6         -0.60032492          3.00314937         -0.98211435
     6         -0.10164506         -1.84112192          4.09613034
     1          2.31690892         -3.63800916         -0.02324774
     1          0.86537182          2.79977219         -4.70865811
     1         -1.42189573          4.85698977         -1.25846649
     6          3.16471701         -1.81286822         -4.75873138
     6          5.47891994         -0.31809767         -5.62567105
     6          1.40379000         -2.39058838         -6.99041565
     1          3.79704348         -3.67520229         -4.10902174
     1          6.43428411         -1.29910205         -7.15995577
     1          6.78732661         -0.07662059         -4.05319479
     1          4.94146559          1.54635404         -6.31559915
     8          1.99870356         -2.21016006         -9.16669750
     8         -0.92231797         -3.24010679         -6.35189942
     1         -1.14704378         -3.11196919         -4.53815731
     6         -1.38137764         -0.70191089          6.04316764
     6         -2.44604284          1.72421561          5.70120588
     6         -2.19755682          2.94369699          3.41382433
     8         -3.73912645          2.97414797          7.53607968
     6         -4.05026501          1.80456196          9.92703246
     1          0.71002919         -3.70004532          4.37110321
     1         -1.56519707         -1.67205958          7.82825949
     1         -3.02459546          4.80010339          3.18624727
     1         -2.22952832          1.44384175         10.83590013
     1         -5.10323373          0.03301542          9.77182786
     1         -5.12482964          3.13365078         11.06673948

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252401D+01      0.641539D+01      0.213994D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.142035D+03      0.210475D+02      0.234185D+02
   yx        -0.213779D+02     -0.316788D+01     -0.352474D+01
   yy         0.149609D+03      0.221697D+02      0.246672D+02
   zx        -0.579816D+02     -0.859199D+01     -0.955988D+01
   zy         0.850039D+01      0.125963D+01      0.140153D+01
   zz         0.261868D+03      0.388049D+02      0.431763D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.207554D+03      0.307564D+02      0.342211D+02
   aniso      0.183422D+03      0.271803D+02      0.302421D+02
   xx         0.158341D+03      0.234638D+02      0.261070D+02
   yx        -0.231290D+02     -0.342736D+01     -0.381345D+01
   yy         0.165871D+03      0.245796D+02      0.273484D+02
   zx        -0.661532D+02     -0.980289D+01     -0.109072D+02
   zy         0.961859D+01      0.142533D+01      0.158589D+01
   zz         0.298451D+03      0.442258D+02      0.492079D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-17\Freq\RLC-PBEPBE\Gen\C14H14O3\PIERPA\17-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02300000
 00,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
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 A BIRD IN THE HAND IS SAFER THAN ONE OVERHEAD.

                       -- NEWTON'S SEVENTH LAW
 Job cpu time:       0 days 23 hours 14 minutes  1.6 seconds.
 Elapsed time:       0 days  2 hours 54 minutes 57.2 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Tue Aug 17 00:23:39 2021.
